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MMsINC code: MMs00868304

Type: Neutral
Formula: C₂₃H₃₁ClN₂O₂

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)NC1CCCCCCCCCCC1

InChI:

InChI=1/C23H31ClN2O2/c1-17-21(22(26-28-17)19-15-11-12-16-20(19)24)23(27)25-18-13-9-7-5-3-2-4-6-8-10-14-18/h11-12,15-16,18H,2-10,13-14H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=157.766 kcal/mol

Physical Properties
Molecular Weight: 402.966 g/mol	logS: -8.18268	SlogP: 6.70652	Reactive groups: 0

Topological Properties
Globularity: 0.373665	Sterimol/B1: 2.44395	Sterimol/B2: 4.15424	Sterimol/B3: 5.90432
Sterimol/B4: 9.39679	Sterimol/L: 13.4248

Surface and Volume Properties
Accessible surface: 591.595	Positive charged surface: 356.986	Negative charged surface: 234.609	Volume: 398.875
Hydrophobic surface: 550.51	Hydrophilic surface: 41.085

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.