MMsINC Database Search


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MMsINC code: MMs01074976

Type: Neutral
Formula: C₂₀H₁₆ClNO₂

SMILES:

Clc1ccc(cc1)C(=O)Nc1ccccc1OCc1ccccc1

InChI:

InChI=1/C20H16ClNO2/c21-17-12-10-16(11-13-17)20(23)22-18-8-4-5-9-19(18)24-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.0441 kcal/mol

Physical Properties
Molecular Weight: 337.806 g/mol	logS: -5.90744	SlogP: 5.4377	Reactive groups: 0

Topological Properties
Globularity: 0.0652996	Sterimol/B1: 3.13526	Sterimol/B2: 3.60908	Sterimol/B3: 3.6961
Sterimol/B4: 9.95805	Sterimol/L: 14.5251

Surface and Volume Properties
Accessible surface: 610.27	Positive charged surface: 297.614	Negative charged surface: 312.657	Volume: 319.5
Hydrophobic surface: 570.766	Hydrophilic surface: 39.504

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.