LigandBoxID:D01399

NAME:Fentanyl citrate;Fentora;Lazanda;Oralet
SMILES: CCC(N(C3CCN(CC3)CCc1ccccc1)c2ccccc2)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01399

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H29N2O 337.487 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 0 -3.9666 -12.4972
LOGS LOGP    
-4.2368 0.6549    

Links to the same SMILES compounds

LIGANDBOX D00320
CHEMBL CHEMBL1201159 CHEMBL596 CHEMBL688
ZINC ZINC02522669
PUBCHEM 10247155 11400405 11534665 11538802 11592312
11643303 11649951 11656244 11661222 11676056 11685594
11713869 11714080 11848190 12001015 13810 18185875
20111639 21595393 22105203 22268068 22495047 22495048
22495049 22571368 23376068 23690394 24812754 3345
44138070 44595994 44621050 44621107 44621108 44621109
44621110 44621111 44621112 44621113 44621115 44621116
44621749 44621817 44622690 44622756 44622757 44622758
45039251 45101339 49849681 49849682 53341113 53341165
53341166 53341167 53341505 53341506 53341507 53341508
53341509 53341510 53341548 53341549 53341550 56929802
59152688 59152695 59152705 59152726 59152728 59152734
59152760 59152768 59152788 59152802 59152823 59152837
6454700 83932 9894242 9897454 9916142 9939722
9941415


[Back to top page]