Drug Information

Drug ID:  NPD9198
Drug Name:  Avibactam Sodium
Molecular Formula:  C7H11N3O6S.Na
Canonical SMILES:  [O-]C(=N)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O.[Na+]
Standard InCHI:  InChI=1S/C7H11N3O6S.Na/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);/q;+1/p-1/t4-,5+;/m1./s1
Standard InCHIKey:  RTCIKUMODPANKX-JBUOLDKXSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9198

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 0.6447 NPC243964
Remote Similarity 0.6203 NPC84182
Remote Similarity 0.6203 NPC128005
Remote Similarity 0.5833 NPC470781
Remote Similarity 0.5833 NPC76297
Remote Similarity 0.5833 NPC214532
Remote Similarity 0.5833 NPC196007
Remote Similarity 0.5747 NPC470782
Remote Similarity 0.5698 NPC209156
Remote Similarity 0.5698 NPC266888
Remote Similarity 0.5698 NPC126186
Remote Similarity 0.5698 NPC161774
Remote Similarity 0.5698 NPC256312
Remote Similarity 0.561 NPC287693

Drug Structure

External Identifiers

TTD  
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ChEMBL  
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PubChem CID  
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Drug Properties

Molecular Weight  264.03
ALogP  -2.6681
MLogP  1.13
XLogP  -2.07
HDA  7
HBD  2
Rotatable Bonds  5
TPSA  142.44
RO5 Violation  0