MMsINC Database Search


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MMsINC code: MMs00136678

Type: Neutral
Formula: C₁₅H₂₀ClNO₂

SMILES:

Clc1cc(C(=O)N2C(CCCC2C)C)c(OC)cc1

InChI:

InChI=1/C15H20ClNO2/c1-10-5-4-6-11(2)17(10)15(18)13-9-12(16)7-8-14(13)19-3/h7-11H,4-6H2,1-3H3/t10-,11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.612 kcal/mol

Physical Properties
Molecular Weight: 281.783 g/mol	logS: -3.61826	SlogP: 3.7517	Reactive groups: 0

Topological Properties
Globularity: 0.130332	Sterimol/B1: 2.22498	Sterimol/B2: 2.42847	Sterimol/B3: 4.75112
Sterimol/B4: 8.64934	Sterimol/L: 11.763

Surface and Volume Properties
Accessible surface: 495.053	Positive charged surface: 323.529	Negative charged surface: 171.524	Volume: 269.375
Hydrophobic surface: 444.077	Hydrophilic surface: 50.976

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

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.