MMsINC Database Search


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MMsINC code: MMs00599549

Type: Neutral
Formula: C₁₅H₂₀ClNO

SMILES:

Clc1cc(C)c(NC(=O)CC2CCCCC2)cc1

InChI:

InChI=1/C15H20ClNO/c1-11-9-13(16)7-8-14(11)17-15(18)10-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.7921 kcal/mol

Physical Properties
Molecular Weight: 265.784 g/mol	logS: -5.16492	SlogP: 4.55732	Reactive groups: 0

Topological Properties
Globularity: 0.0341572	Sterimol/B1: 1.969	Sterimol/B2: 3.05007	Sterimol/B3: 3.16118
Sterimol/B4: 6.81349	Sterimol/L: 15.5067

Surface and Volume Properties
Accessible surface: 504.263	Positive charged surface: 315.883	Negative charged surface: 188.38	Volume: 263.25
Hydrophobic surface: 477.478	Hydrophilic surface: 26.785

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.