Drug Information

Drug ID:  NPD9304
Drug Name:  Sulfacarbamide
Molecular Formula:  C7H9N3O3S
Canonical SMILES:  OC(=N)NS(=O)(=O)c1ccc(cc1)N
Standard InCHI:  InChI=1S/C7H9N3O3S/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11/h1-4H,8H2,(H3,9,10,11)
Standard InCHIKey:  WVAKABMNNSMCDK-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9304

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
High Similarity 0.9121 NPC315403
High Similarity 0.8511 NPC107135
Intermediate Similarity 0.8495 NPC43655
Intermediate Similarity 0.7204 NPC301874
Intermediate Similarity 0.7143 NPC271732
Remote Similarity 0.699 NPC92689
Remote Similarity 0.6939 NPC307456
Remote Similarity 0.6915 NPC66775
Remote Similarity 0.68 NPC15839
Remote Similarity 0.6796 NPC297532
Remote Similarity 0.678 NPC218710
Remote Similarity 0.6771 NPC35599
Remote Similarity 0.6757 NPC474430
Remote Similarity 0.6667 NPC317400
Remote Similarity 0.6481 NPC476483
Remote Similarity 0.6471 NPC134825
Remote Similarity 0.6381 NPC262295
Remote Similarity 0.6357 NPC321053
Remote Similarity 0.6355 NPC78154
Remote Similarity 0.6346 NPC229477
Remote Similarity 0.6262 NPC173991
Remote Similarity 0.6261 NPC328877
Remote Similarity 0.625 NPC317642
Remote Similarity 0.6204 NPC191444
Remote Similarity 0.6168 NPC111233
Remote Similarity 0.6168 NPC30445
Remote Similarity 0.6111 NPC176858
Remote Similarity 0.6102 NPC37584
Remote Similarity 0.6 NPC70201
Remote Similarity 0.5985 NPC328590
Remote Similarity 0.5963 NPC240134
Remote Similarity 0.5946 NPC108800
Remote Similarity 0.5941 NPC302129
Remote Similarity 0.5897 NPC311660
Remote Similarity 0.5847 NPC256838
Remote Similarity 0.5798 NPC313362
Remote Similarity 0.5798 NPC313810
Remote Similarity 0.576 NPC470550
Remote Similarity 0.576 NPC205652
Remote Similarity 0.5702 NPC76327
Remote Similarity 0.568 NPC314141
Remote Similarity 0.5641 NPC316435
Remote Similarity 0.5641 NPC75496
Remote Similarity 0.563 NPC178681
Remote Similarity 0.5625 NPC31651
Remote Similarity 0.561 NPC255721

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  215.04
ALogP  -1.2496
MLogP  1.46
XLogP  0.644
HDA  6
HBD  4
Rotatable Bonds  5
TPSA  124.65
RO5 Violation  0