MMsINC Database Search


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MMsINC code: MMs01230454

Type: Neutral
Formula: C₁₅H₁₃Cl₂NO₂

SMILES:

Clc1ccc(Cl)cc1C(=O)NCc1ccccc1OC

InChI:

InChI=1/C15H13Cl2NO2/c1-20-14-5-3-2-4-10(14)9-18-15(19)12-8-11(16)6-7-13(12)17/h2-8H,9H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.7338 kcal/mol

Physical Properties
Molecular Weight: 310.18 g/mol	logS: -4.81787	SlogP: 4.1984	Reactive groups: 0

Topological Properties
Globularity: 0.148808	Sterimol/B1: 2.1683	Sterimol/B2: 3.28271	Sterimol/B3: 6.28306
Sterimol/B4: 6.94947	Sterimol/L: 14.3044

Surface and Volume Properties
Accessible surface: 535.278	Positive charged surface: 271.255	Negative charged surface: 264.023	Volume: 273.375
Hydrophobic surface: 497.236	Hydrophilic surface: 38.042

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.