MMsINC Database Search


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MMsINC code: MMs02685457

Type: Neutral
Formula: C₁₆H₁₅Cl₂NO₂

SMILES:

Clc1cc(cc(Cl)c1OC)C(=O)Nc1cc(ccc1C)C

InChI:

InChI=1/C16H15Cl2NO2/c1-9-4-5-10(2)14(6-9)19-16(20)11-7-12(17)15(21-3)13(18)8-11/h4-8H,1-3H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.49 kcal/mol

Physical Properties
Molecular Weight: 324.207 g/mol	logS: -5.50822	SlogP: 4.87114	Reactive groups: 0

Topological Properties
Globularity: 0.0210807	Sterimol/B1: 2.61505	Sterimol/B2: 2.97115	Sterimol/B3: 3.2104
Sterimol/B4: 7.2872	Sterimol/L: 16.3496

Surface and Volume Properties
Accessible surface: 549.697	Positive charged surface: 281.058	Negative charged surface: 268.639	Volume: 291.75
Hydrophobic surface: 512.728	Hydrophilic surface: 36.969

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.