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MMsINC code: MMs00970228

Type: Neutral
Formula: C₂₀H₂₇ClFN₃O₂

SMILES:

Clc1cc(F)ccc1CN1CCN(CC(=O)NC2CCCCCCC2)C1=O

InChI:

InChI=1/C20H27ClFN3O2/c21-18-12-16(22)9-8-15(18)13-24-10-11-25(20(24)27)14-19(26)23-17-6-4-2-1-3-5-7-17/h8-9,12,17H,1-7,10-11,13-14H2,(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.095 kcal/mol

Physical Properties
Molecular Weight: 395.906 g/mol	logS: -5.01251	SlogP: 4.2122	Reactive groups: 0

Topological Properties
Globularity: 0.0693365	Sterimol/B1: 2.52654	Sterimol/B2: 3.0945	Sterimol/B3: 4.76312
Sterimol/B4: 6.19647	Sterimol/L: 18.8115

Surface and Volume Properties
Accessible surface: 645.86	Positive charged surface: 428.567	Negative charged surface: 217.293	Volume: 369.375
Hydrophobic surface: 570.7	Hydrophilic surface: 75.16

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.