MMsINC Database Search


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MMsINC code: MMs00614061

Type: Neutral
Formula: C₁₅H₁₃Cl₂NO₂

SMILES:

Clc1ccc(Cl)cc1C(=O)NCc1ccc(OC)cc1

InChI:

InChI=1/C15H13Cl2NO2/c1-20-12-5-2-10(3-6-12)9-18-15(19)13-8-11(16)4-7-14(13)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)=61.1309 kcal/mol

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

Topological Properties
Globularity: 0.0600784	Sterimol/B1: 3.00764	Sterimol/B2: 4.43993	Sterimol/B3: 4.51616
Sterimol/B4: 5.64423	Sterimol/L: 16.3335

Surface and Volume Properties
Accessible surface: 540.425	Positive charged surface: 276.073	Negative charged surface: 264.352	Volume: 273.5
Hydrophobic surface: 492.945	Hydrophilic surface: 47.48

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.