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MMsINC code: MMs03778981

Type: Neutral
Formula: C₁₆H₁₅Cl₂NO₃

SMILES:

Clc1ccc(NC(=O)c2ccoc2C)cc1OC\C=C(/Cl)\C

InChI:

InChI=1/C16H15Cl2NO3/c1-10(17)5-7-22-15-9-12(3-4-14(15)18)19-16(20)13-6-8-21-11(13)2/h3-6,8-9H,7H2,1-2H3,(H,19,20)/b10-5-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.6438 kcal/mol

Physical Properties
Molecular Weight: 340.206 g/mol	logS: -5.39559	SlogP: 5.12402	Reactive groups: 0

Topological Properties
Globularity: 0.0402754	Sterimol/B1: 2.29066	Sterimol/B2: 4.29128	Sterimol/B3: 5.37269
Sterimol/B4: 5.87107	Sterimol/L: 16.6905

Surface and Volume Properties
Accessible surface: 589.01	Positive charged surface: 269.57	Negative charged surface: 319.44	Volume: 300.75
Hydrophobic surface: 525.165	Hydrophilic surface: 63.845

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.