MMsINC Database Search


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MMsINC code: MMs00613954

Type: Neutral
Formula: C₁₅H₁₃Cl₂NO₂

SMILES:

Clc1cccc(Cl)c1C(=O)Nc1ccc(OCC)cc1

InChI:

InChI=1/C15H13Cl2NO2/c1-2-20-11-8-6-10(7-9-11)18-15(19)14-12(16)4-3-5-13(14)17/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)=67.5174 kcal/mol

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

Topological Properties
Globularity: 0.0346561	Sterimol/B1: 3.54825	Sterimol/B2: 3.57632	Sterimol/B3: 4.01505
Sterimol/B4: 4.53961	Sterimol/L: 17.1321

Surface and Volume Properties
Accessible surface: 533.364	Positive charged surface: 260.513	Negative charged surface: 272.852	Volume: 275.875
Hydrophobic surface: 468.796	Hydrophilic surface: 64.568

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.