Drug Information

Drug ID:  NPD9199
Drug Name:  Avibactam
Molecular Formula:  C7H11N3O6S
Canonical SMILES:  OC(=N)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O
Standard InCHI:  InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1
Standard InCHIKey:  NDCUAPJVLWFHHB-UHNVWZDZSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9199

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
Remote Similarity 0.6711 NPC243964
Remote Similarity 0.6456 NPC84182
Remote Similarity 0.6456 NPC128005
Remote Similarity 0.6071 NPC196007
Remote Similarity 0.6071 NPC470781
Remote Similarity 0.6071 NPC76297
Remote Similarity 0.6071 NPC214532
Remote Similarity 0.5977 NPC470782
Remote Similarity 0.593 NPC126186
Remote Similarity 0.593 NPC161774
Remote Similarity 0.593 NPC266888
Remote Similarity 0.593 NPC256312
Remote Similarity 0.593 NPC209156
Remote Similarity 0.5854 NPC287693
Remote Similarity 0.573 NPC59867
Remote Similarity 0.567 NPC275715
Remote Similarity 0.5647 NPC322274
Remote Similarity 0.5604 NPC312315
Remote Similarity 0.5604 NPC31756

Drug Structure

External Identifiers

TTD  
DrugBank   DB09060
ChEMBL   CHEMBL1689063
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI   85984
CAS Number  1192500-31-4

Drug Properties

Molecular Weight  265.04
ALogP  -1.9903
MLogP  1.13
XLogP  -2.07
HDA  7
HBD  3
Rotatable Bonds  5
TPSA  139.61
RO5 Violation  0