MMsINC Database Search


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MMsINC code: MMs02215934

Type: Neutral
Formula: C₁₉H₂₀ClNO₂

SMILES:

Clc1ccc(NC(Oc2ccc(cc2)C2CCCCC2)=O)cc1

InChI:

InChI=1/C19H20ClNO2/c20-16-8-10-17(11-9-16)21-19(22)23-18-12-6-15(7-13-18)14-4-2-1-3-5-14/h6-14H,1-5H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.044 kcal/mol

Physical Properties
Molecular Weight: 329.827 g/mol	logS: -7.07839	SlogP: 5.9986	Reactive groups: 0

Topological Properties
Globularity: 0.0392542	Sterimol/B1: 2.50377	Sterimol/B2: 2.84593	Sterimol/B3: 5.12094
Sterimol/B4: 5.32031	Sterimol/L: 19.1181

Surface and Volume Properties
Accessible surface: 595.19	Positive charged surface: 349.672	Negative charged surface: 245.518	Volume: 316
Hydrophobic surface: 541.217	Hydrophilic surface: 53.973

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