MMsINC Database Search


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MMsINC code: MMs00602567

Type: Neutral
Formula: C₁₅H₁₅ClN₂O

SMILES:

Clc1cc(NC(=O)N(CC)c2ccccc2)ccc1

InChI:

InChI=1/C15H15ClN2O/c1-2-18(14-9-4-3-5-10-14)15(19)17-13-8-6-7-12(16)11-13/h3-11H,2H2,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.4355 kcal/mol

Physical Properties
Molecular Weight: 274.751 g/mol	logS: -4.20756	SlogP: 4.3984	Reactive groups: 0

Topological Properties
Globularity: 0.0946126	Sterimol/B1: 2.51625	Sterimol/B2: 3.50342	Sterimol/B3: 3.9697
Sterimol/B4: 7.25967	Sterimol/L: 15.1856

Surface and Volume Properties
Accessible surface: 506.129	Positive charged surface: 264.081	Negative charged surface: 242.048	Volume: 262.625
Hydrophobic surface: 459.747	Hydrophilic surface: 46.382

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.