LigandBoxID:D07760

NAME:Cyclophosphamide;Cyclophosphamide;Cytoxan
SMILES: [Cl]CCN(P1(NCCCO1)=O)CC[Cl]

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D07760

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C7H15N2O2PCl2 261.089 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 1 0.0415 -10.1314
LOGS LOGP    
-0.1313 0.6760    

Links to the same SMILES compounds

LIGANDBOX C06933 C07888 D00287 HTS1610-00142044 HTS1610-00142045
HTS1610-00142046 HTS1610-00142047 KSH2016-00063520 KSH2016-02174563
CHEMBL CHEMBL1200796 CHEMBL88
ZINC ZINC00155694
PUBCHEM 10099284 10482923 10801618 11647272 16121440
16121441 16121552 18463831 20156639 22003099 22420
24198627 24199786 24199787 24840830 24884287 2907
3035226 311947 431989 434092 44182564 44182565
44182566 44182567 44182568 44182569 44182570 44182713
44182714 44182715 44182716 44182717 44182718 44182719
44182720 44182721 44182856 44182857 44182858 44182859
44182860 44182861 44182862 44182998 44182999 44183000
44183001 44183002 44183003 44183004 44183140 44183141
44183142 44183143 44183144 44183145 44183146 44183729
44183881 44183882 44183883 44183884 44183885 44183886
44183887 44183888 44183889 44184046 44184047 44184048
44184049 44184050 44184051 44184052 44184053 44184213
44184214 44184215 44184216 44184217 44184218 44184219
44184220 44184376 44184377 44184378 44184379 44184380
44184381 44184382 44184383 44184523 44184524 44184525
44184526 44184527 44184528 44184529 44184530 44184531
44184668 44184669 44184670 44184671 44184672 44184673
44184674 44184675 44184830 44184831 44184832 44184833
44184834 44184835 44184836 44184837 44205231 46870947
49836019 50919728 50919736 50933843 5149006 5149201
5150276 5150350 57816920 57816921 57816922 57816924
57816926 57816929 57816930 57816932 57816933 57816934
57816935 57816939 57816940 57816941 57816942 57816943
57816944 57816946 57816948 57816949 57816950 57816951
57816952 57816953 57816954 57816955 57816956 57816957
57816958 57816960 57816962 57816963 57816964 57816965
57816966 57816968 57816969 57816970 57816972 57816973
57816974 57816976 57816977 57816978 57816979 57816980
57816981 57816982 57816983 57816984 57816985 57816986
57816988 57816989 57816990 57816991 57816992 57816994
57816995 57816996 57816997 57816999 57817001 57817003
57817005 57817007 57817010 57817012 57817013 57817016
57817026 6333990 6373292 84057 84061 9554281
9554282 9807987 9930110


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