MMsINC Database Search


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MMsINC code: MMs01038326

Type: Neutral
Formula: C₁₉H₁₆ClNO₂

SMILES:

Clc1cc(ccc1)CN(C(=O)c1ccccc1)Cc1occc1

InChI:

InChI=1/C19H16ClNO2/c20-17-9-4-6-15(12-17)13-21(14-18-10-5-11-23-18)19(22)16-7-2-1-3-8-16/h1-12H,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.2062 kcal/mol

Physical Properties
Molecular Weight: 325.795 g/mol	logS: -5.44668	SlogP: 5.3084	Reactive groups: 0

Topological Properties
Globularity: 0.115108	Sterimol/B1: 3.03881	Sterimol/B2: 3.22059	Sterimol/B3: 4.55772
Sterimol/B4: 9.65695	Sterimol/L: 13.2796

Surface and Volume Properties
Accessible surface: 553.115	Positive charged surface: 253.264	Negative charged surface: 299.851	Volume: 309.25
Hydrophobic surface: 512.352	Hydrophilic surface: 40.763

Pharmacophoric Properties
Hydrogen bond donors: 0	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.