MMsINC Database Search


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MMsINC code: MMs02947249

Type: Neutral
Formula: C₁₅H₁₀ClN₃O

SMILES:

Clc1cc2c(nc(cc2C(=O)N)-c2ccncc2)cc1

InChI:

InChI=1/C15H10ClN3O/c16-10-1-2-13-11(7-10)12(15(17)20)8-14(19-13)9-3-5-18-6-4-9/h1-8H,(H2,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.2126 kcal/mol

Physical Properties
Molecular Weight: 283.718 g/mol	logS: -4.09687	SlogP: 3.0491	Reactive groups: 0

Topological Properties
Globularity: 0.000227803	Sterimol/B1: 2.09753	Sterimol/B2: 2.13586	Sterimol/B3: 2.53616
Sterimol/B4: 8.15933	Sterimol/L: 14.6992

Surface and Volume Properties
Accessible surface: 477.639	Positive charged surface: 253.731	Negative charged surface: 212.837	Volume: 249.875
Hydrophobic surface: 346.206	Hydrophilic surface: 131.433

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.