MMsINC Database Search


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MMsINC code: MMs00590025

Type: Neutral
Formula: C₁₅H₁₃Cl₂NO₃

SMILES:

Clc1ccccc1C(=O)Nc1cc(OC)c(Cl)cc1OC

InChI:

InChI=1/C15H13Cl2NO3/c1-20-13-8-12(14(21-2)7-11(13)17)18-15(19)9-5-3-4-6-10(9)16/h3-8H,1-2H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.581 kcal/mol

Physical Properties
Molecular Weight: 326.179 g/mol	logS: -4.92421	SlogP: 4.2629	Reactive groups: 0

Topological Properties
Globularity: 0.0251908	Sterimol/B1: 2.38814	Sterimol/B2: 2.46762	Sterimol/B3: 3.5576
Sterimol/B4: 9.69129	Sterimol/L: 15.4123

Surface and Volume Properties
Accessible surface: 539.245	Positive charged surface: 308.205	Negative charged surface: 231.04	Volume: 279.625
Hydrophobic surface: 504.962	Hydrophilic surface: 34.283

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.