MMsINC Database Search


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MMsINC code: MMs00584167

Type: Neutral
Formula: C₁₅H₂₀ClNO₂

SMILES:

Clc1cc(C)c(OCC(=O)NC2CCCCC2)cc1

InChI:

InChI=1/C15H20ClNO2/c1-11-9-12(16)7-8-14(11)19-10-15(18)17-13-5-3-2-4-6-13/h7-9,13H,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)=47.0008 kcal/mol

Physical Properties
Molecular Weight: 281.783 g/mol	logS: -3.97373	SlogP: 3.47612	Reactive groups: 0

Topological Properties
Globularity: 0.0390819	Sterimol/B1: 2.02266	Sterimol/B2: 2.78183	Sterimol/B3: 3.70784
Sterimol/B4: 6.64587	Sterimol/L: 17.6927

Surface and Volume Properties
Accessible surface: 541.618	Positive charged surface: 341.138	Negative charged surface: 200.48	Volume: 274.75
Hydrophobic surface: 495.967	Hydrophilic surface: 45.651

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.