MMsINC Database Search


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MMsINC code: MMs00800284

Type: Neutral
Formula: C₁₅H₂₀ClNO₂

SMILES:

Clc1ccc(OC(C(=O)NC2CCCC2)C)cc1C

InChI:

InChI=1/C15H20ClNO2/c1-10-9-13(7-8-14(10)16)19-11(2)15(18)17-12-5-3-4-6-12/h7-9,11-12H,3-6H2,1-2H3,(H,17,18)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.8606 kcal/mol

Physical Properties
Molecular Weight: 281.783 g/mol	logS: -3.78572	SlogP: 3.47452	Reactive groups: 0

Topological Properties
Globularity: 0.085896	Sterimol/B1: 2.0355	Sterimol/B2: 3.44111	Sterimol/B3: 4.56224
Sterimol/B4: 6.68982	Sterimol/L: 16.6164

Surface and Volume Properties
Accessible surface: 536.914	Positive charged surface: 322.693	Negative charged surface: 214.221	Volume: 276
Hydrophobic surface: 477.678	Hydrophilic surface: 59.236

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.