LigandBoxID:D07702

NAME:Ciprofloxacin lactate;Ciproxin
SMILES: OC(c3cn(c4cc(N1CCNCC1)c(cc4c3=O)F)C2CC2)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D07702

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H18N3O3F 331.347 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -2.6733 -6.2394
LOGS LOGP    
-2.7858 -0.9638    

Links to the same SMILES compounds

LIGANDBOX C05349 C13993 D00186 D02216 HTS1610-00125881
HTS1610-00125882 HTS1610-00125883 HTS1610-07159002 HTS1610-07159003 HTS1610-07159411 HTS1610-07159412
KSH2016-00015984 KSH2016-00058321 KSH2016-03511472 PDB_CPF
CHEMBL CHEMBL1077975 CHEMBL1202 CHEMBL8
ZINC ZINC00020220
PUBCHEM 10007224 10053511 10121020 10210755 10336735
10438736 11155131 11353219 11541862 11563190 12053226
149514 16077307 177387 17906217 18994232 19103100
20848875 22001115 22165596 22283731 22667706 24800723
24847882 25154790 25207772 25218030 25218031 25218032
25218153 2764 4011971 44189147 44189148 44189149
44189325 44189326 44242532 44335315 44350862 44462801
44472521 44558532 456465 456475 456480 46190704
46190771 463618 46856324 46865184 46865289 46865290
470415 471656 472163 478221 478224 479349
482889 482893 483181 483213 49765056 49849586
51000495 51371359 54707634 56963349 57411068 62998
62999 6475834 9807702 9841277 9907228 9910534
9939022 9952060 9959802


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