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MMsINC code: MMs01379504

Type: Neutral
Formula: C₁₇H₁₅Cl₂NO₂

SMILES:

Clc1cc(Cl)ccc1COc1ccccc1C(=O)NC1CC1

InChI:

InChI=1/C17H15Cl2NO2/c18-12-6-5-11(15(19)9-12)10-22-16-4-2-1-3-14(16)17(21)20-13-7-8-13/h1-6,9,13H,7-8,10H2,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.0121 kcal/mol

Physical Properties
Molecular Weight: 336.218 g/mol	logS: -5.37025	SlogP: 4.731	Reactive groups: 0

Topological Properties
Globularity: 0.0198019	Sterimol/B1: 2.71224	Sterimol/B2: 2.8587	Sterimol/B3: 2.93978
Sterimol/B4: 9.39182	Sterimol/L: 14.9091

Surface and Volume Properties
Accessible surface: 578.318	Positive charged surface: 269.381	Negative charged surface: 308.937	Volume: 302.75
Hydrophobic surface: 501.784	Hydrophilic surface: 76.534

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.