MMsINC Database Search


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MMsINC code: MMs02677706

Type: Neutral
Formula: C₁₅H₁₃Cl₂NO₂

SMILES:

Clc1cc(NC(=O)c2ccc(OCC)cc2)cc(Cl)c1

InChI:

InChI=1/C15H13Cl2NO2/c1-2-20-14-5-3-10(4-6-14)15(19)18-13-8-11(16)7-12(17)9-13/h3-9H,2H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.1886 kcal/mol

Physical Properties
Molecular Weight: 310.18 g/mol	logS: -5.20104	SlogP: 4.6444	Reactive groups: 0

Topological Properties
Globularity: 0.0135743	Sterimol/B1: 2.79946	Sterimol/B2: 2.98756	Sterimol/B3: 4.3673
Sterimol/B4: 4.84895	Sterimol/L: 17.1338

Surface and Volume Properties
Accessible surface: 546.341	Positive charged surface: 252.52	Negative charged surface: 293.822	Volume: 272.625
Hydrophobic surface: 477.562	Hydrophilic surface: 68.779

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.