MMsINC Database Search


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MMsINC code: MMs01632228

Type: Neutral
Formula: C₁₄H₁₁Cl₂NO

SMILES:

Clc1cc(ccc1)CNC(=O)c1ccc(Cl)cc1

InChI:

InChI=1/C14H11Cl2NO/c15-12-6-4-11(5-7-12)14(18)17-9-10-2-1-3-13(16)8-10/h1-8H,9H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.2381 kcal/mol

Physical Properties
Molecular Weight: 280.154 g/mol	logS: -4.76749	SlogP: 4.1898	Reactive groups: 0

Topological Properties
Globularity: 0.0791717	Sterimol/B1: 2.43669	Sterimol/B2: 3.76076	Sterimol/B3: 4.76031
Sterimol/B4: 5.91153	Sterimol/L: 15.213

Surface and Volume Properties
Accessible surface: 500.947	Positive charged surface: 204.915	Negative charged surface: 296.032	Volume: 248.75
Hydrophobic surface: 454.55	Hydrophilic surface: 46.397

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.