MMsINC Database Search


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MMsINC code: MMs00446580

Type: Neutral
Formula: C₁₅H₁₀ClNO₂

SMILES:

Clc1cc2c(NC(=O)C(c3ccccc3)=C2O)cc1

InChI:

InChI=1/C15H10ClNO2/c16-10-6-7-12-11(8-10)14(18)13(15(19)17-12)9-4-2-1-3-5-9/h1-8H,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.9391 kcal/mol

Physical Properties
Molecular Weight: 271.703 g/mol	logS: -4.40105	SlogP: 3.7184	Reactive groups: 0

Topological Properties
Globularity: 0.0579178	Sterimol/B1: 3.19076	Sterimol/B2: 3.27574	Sterimol/B3: 4.11352
Sterimol/B4: 4.62356	Sterimol/L: 14.5623

Surface and Volume Properties
Accessible surface: 468.209	Positive charged surface: 223.336	Negative charged surface: 244.872	Volume: 241.125
Hydrophobic surface: 374.63	Hydrophilic surface: 93.579

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.