MMsINC Database Search


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MMsINC code: MMs00550004

Type: Neutral
Formula: C₂₀H₃₀ClNO₂

SMILES:

Clc1ccc(OCC(=O)NC2CCCCCCCCCCC2)cc1

InChI:

InChI=1/C20H30ClNO2/c21-17-12-14-19(15-13-17)24-16-20(23)22-18-10-8-6-4-2-1-3-5-7-9-11-18/h12-15,18H,1-11,16H2,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.611 kcal/mol

Physical Properties
Molecular Weight: 351.918 g/mol	logS: -6.90458	SlogP: 5.5083	Reactive groups: 0

Topological Properties
Globularity: 0.216895	Sterimol/B1: 3.83537	Sterimol/B2: 5.0454	Sterimol/B3: 5.04574
Sterimol/B4: 6.10172	Sterimol/L: 15.4826

Surface and Volume Properties
Accessible surface: 610.297	Positive charged surface: 372.069	Negative charged surface: 238.228	Volume: 356.875
Hydrophobic surface: 571.919	Hydrophilic surface: 38.378

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.