MMsINC Database Search


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MMsINC code: MMs00401966

Type: Neutral
Formula: C₁₅H₁₅N₃O₃

SMILES:

O(C)c1ccc(N=NNc2ccc(cc2)C(OC)=O)cc1

InChI:

InChI=1/C15H15N3O3/c1-20-14-9-7-13(8-10-14)17-18-16-12-5-3-11(4-6-12)15(19)21-2/h3-10H,1-2H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.9989 kcal/mol

Physical Properties
Molecular Weight: 285.303 g/mol	logS: -3.40708	SlogP: 3.5926	Reactive groups: 0

Topological Properties
Globularity: 0.00394231	Sterimol/B1: 2.37562	Sterimol/B2: 2.37597	Sterimol/B3: 2.4502
Sterimol/B4: 7.30142	Sterimol/L: 17.7015

Surface and Volume Properties
Accessible surface: 556.734	Positive charged surface: 359.727	Negative charged surface: 197.007	Volume: 273.5
Hydrophobic surface: 480.642	Hydrophilic surface: 76.092

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.