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MMsINC code: MMs02314313

Type: Neutral
Formula: C₁₄H₁₃Cl₂NO

SMILES:

Clc1cc(Cl)cc(CNCc2ccccc2)c1O

InChI:

InChI=1/C14H13Cl2NO/c15-12-6-11(14(18)13(16)7-12)9-17-8-10-4-2-1-3-5-10/h1-7,17-18H,8-9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.2291 kcal/mol

Physical Properties
Molecular Weight: 282.17 g/mol	logS: -3.99991	SlogP: 4.5216	Reactive groups: 0

Topological Properties
Globularity: 0.111591	Sterimol/B1: 2.39629	Sterimol/B2: 4.59085	Sterimol/B3: 4.66721
Sterimol/B4: 4.85893	Sterimol/L: 14.1103

Surface and Volume Properties
Accessible surface: 510.548	Positive charged surface: 240.83	Negative charged surface: 269.718	Volume: 255.125
Hydrophobic surface: 451.756	Hydrophilic surface: 58.792

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02314314
NCID-ZINC01679784