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MMsINC code: MMs03550620

Type: Neutral
Formula: C₁₈H₁₇Cl₂NO₂

SMILES:

Clc1cc(ccc1Cl)\C=C\C(=O)NCCc1ccc(OC)cc1

InChI:

InChI=1/C18H17Cl2NO2/c1-23-15-6-2-13(3-7-15)10-11-21-18(22)9-5-14-4-8-16(19)17(20)12-14/h2-9,12H,10-11H2,1H3,(H,21,22)/b9-5+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.8906 kcal/mol

Physical Properties
Molecular Weight: 350.245 g/mol	logS: -5.38516	SlogP: 4.37407	Reactive groups: 0

Topological Properties
Globularity: 0.0289508	Sterimol/B1: 2.80505	Sterimol/B2: 3.14559	Sterimol/B3: 4.5886
Sterimol/B4: 5.70925	Sterimol/L: 21.988

Surface and Volume Properties
Accessible surface: 628.778	Positive charged surface: 324.551	Negative charged surface: 304.227	Volume: 321.875
Hydrophobic surface: 565.521	Hydrophilic surface: 63.257

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.