MMsINC Database Search


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MMsINC code: MMs01505662

Type: Neutral
Formula: C₁₅H₁₃Cl₂NO

SMILES:

Clc1cc(cc(Cl)c1)C(=O)NCc1ccc(cc1)C

InChI:

InChI=1/C15H13Cl2NO/c1-10-2-4-11(5-3-10)9-18-15(19)12-6-13(16)8-14(17)7-12/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)=35.1396 kcal/mol

Physical Properties
Molecular Weight: 294.181 g/mol	logS: -5.24141	SlogP: 4.49822	Reactive groups: 0

Topological Properties
Globularity: 0.0582279	Sterimol/B1: 3.61744	Sterimol/B2: 3.61827	Sterimol/B3: 4.52708
Sterimol/B4: 5.3806	Sterimol/L: 16.8648

Surface and Volume Properties
Accessible surface: 533.029	Positive charged surface: 229.81	Negative charged surface: 303.219	Volume: 268.375
Hydrophobic surface: 484.575	Hydrophilic surface: 48.454

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.