Drug Information

Drug ID:  NPD9423
Drug Name:  SKI-2034R
Molecular Formula:  C8H14N2O2.C2H3O3.Pt
Canonical SMILES:  [N]C[C@H]1OC(O[C@@H]1C[N])C(C)C.[O-]CC(=O)[O-].[Pt+2]
Standard InCHI:  InChI=1S/C8H14N2O2.C2H3O3.Pt/c1-5(2)8-11-6(3-9)7(4-10)12-8;3-1-2(4)5;/h5-8H,3-4H2,1-2H3;1H2,(H,4,5);/q;-1;+2/p-1/t6-,7-;;/m1../s1
Standard InCHIKey:  XNDHUGYXUYTEBF-GPJOBVNKSA-M
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9423

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 0.5769 NPC473991
Remote Similarity 0.5758 NPC17455

Drug Structure

External Identifiers

TTD   DIB016389
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Drug Properties

Molecular Weight  174.14
ALogP  -1.1805
MLogP  1.9
XLogP  -0.606
HDA  4
HBD  2
Rotatable Bonds  7
TPSA  70.5
RO5 Violation  0