Drug Information

Drug ID:  NPD453
Drug Name:  Fenobam
Molecular Formula:  C11H11ClN4O2
Canonical SMILES:  Clc1cccc(c1)N=C(N=C1N=C(CN1C)O)O
Standard InCHI:  InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)
Standard InCHIKey:  DWPQODZAOSWNHB-UHFFFAOYSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD453

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
Intermediate Similarity 0.7265 NPC313810
Intermediate Similarity 0.7143 NPC307456
Intermediate Similarity 0.7009 NPC15839
Remote Similarity 0.6772 NPC125416
Remote Similarity 0.6692 NPC317564
Remote Similarity 0.6667 NPC474430
Remote Similarity 0.6579 NPC78154
Remote Similarity 0.6552 NPC476483
Remote Similarity 0.6541 NPC283130
Remote Similarity 0.6541 NPC328683
Remote Similarity 0.6435 NPC92689
Remote Similarity 0.6404 NPC297532
Remote Similarity 0.64 NPC164802
Remote Similarity 0.6348 NPC240134
Remote Similarity 0.6197 NPC313352
Remote Similarity 0.6183 NPC288232
Remote Similarity 0.6148 NPC316435
Remote Similarity 0.6129 NPC178681
Remote Similarity 0.6129 NPC471310
Remote Similarity 0.6098 NPC326792
Remote Similarity 0.6028 NPC226662
Remote Similarity 0.6019 NPC66775
Remote Similarity 0.6016 NPC75496
Remote Similarity 0.6 NPC469949
Remote Similarity 0.5985 NPC470550
Remote Similarity 0.5969 NPC255721
Remote Similarity 0.5938 NPC20322
Remote Similarity 0.5938 NPC76327
Remote Similarity 0.592 NPC329375
Remote Similarity 0.589 NPC325599
Remote Similarity 0.5826 NPC134825
Remote Similarity 0.5818 NPC301874
Remote Similarity 0.5806 NPC317642
Remote Similarity 0.5802 NPC9336
Remote Similarity 0.5789 NPC296163
Remote Similarity 0.5789 NPC187036
Remote Similarity 0.5789 NPC314141
Remote Similarity 0.5778 NPC147957
Remote Similarity 0.5775 NPC478079
Remote Similarity 0.5772 NPC471320
Remote Similarity 0.5772 NPC471319
Remote Similarity 0.5769 NPC77294
Remote Similarity 0.5752 NPC324445
Remote Similarity 0.575 NPC476160
Remote Similarity 0.5746 NPC471318
Remote Similarity 0.5741 NPC271732
Remote Similarity 0.5724 NPC207428
Remote Similarity 0.5706 NPC49217
Remote Similarity 0.5691 NPC108339
Remote Similarity 0.5672 NPC264782
Remote Similarity 0.5664 NPC476950
Remote Similarity 0.563 NPC205652
Remote Similarity 0.563 NPC473031
Remote Similarity 0.5625 NPC321053
Remote Similarity 0.5621 NPC477890
Remote Similarity 0.562 NPC31651
Remote Similarity 0.562 NPC192209
Remote Similarity 0.5606 NPC470127
Remote Similarity 0.56 NPC471312

Drug Structure

External Identifiers

TTD   DPR000148
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   162834
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  266.06
ALogP  -0.2506
MLogP  1.9
XLogP  1.906
HDA  6
HBD  2
Rotatable Bonds  6
TPSA  80.78
RO5 Violation  0