MMsINC Database Search


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MMsINC code: MMs00617734

Type: Neutral
Formula: C₁₅H₁₃Cl₂NO₂

SMILES:

Clc1cc(cc(Cl)c1OC)C(=O)Nc1cc(ccc1)C

InChI:

InChI=1/C15H13Cl2NO2/c1-9-4-3-5-11(6-9)18-15(19)10-7-12(16)14(20-2)13(17)8-10/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)=78.6724 kcal/mol

Physical Properties
Molecular Weight: 310.18 g/mol	logS: -5.34775	SlogP: 4.56272	Reactive groups: 0

Topological Properties
Globularity: 0.0231079	Sterimol/B1: 2.34342	Sterimol/B2: 2.8509	Sterimol/B3: 4.04123
Sterimol/B4: 6.1104	Sterimol/L: 16.5555

Surface and Volume Properties
Accessible surface: 523.215	Positive charged surface: 261.499	Negative charged surface: 261.717	Volume: 272.625
Hydrophobic surface: 477.646	Hydrophilic surface: 45.569

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.