MMsINC Database Search


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MMsINC code: MMs00744580

Type: Neutral
Formula: C₁₉H₁₃Cl₂NO₂

SMILES:

Clc1ccccc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1

InChI:

InChI=1/C19H13Cl2NO2/c20-13-5-9-15(10-6-13)24-16-11-7-14(8-12-16)22-19(23)17-3-1-2-4-18(17)21/h1-12H,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.063 kcal/mol

Physical Properties
Molecular Weight: 358.224 g/mol	logS: -6.60616	SlogP: 6.038	Reactive groups: 0

Topological Properties
Globularity: 0.0554475	Sterimol/B1: 2.96279	Sterimol/B2: 3.83615	Sterimol/B3: 4.28606
Sterimol/B4: 5.88187	Sterimol/L: 18.8869

Surface and Volume Properties
Accessible surface: 592.031	Positive charged surface: 258.044	Negative charged surface: 333.987	Volume: 316
Hydrophobic surface: 564.517	Hydrophilic surface: 27.514

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.