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MMsINC code: MMs01441539

Type: Neutral
Formula: C₁₈H₁₈ClFN₂O

SMILES:

Clc1cc(NC(=O)Cc2ccccc2F)c(N2CCCC2)cc1

InChI:

InChI=1/C18H18ClFN2O/c19-14-7-8-17(22-9-3-4-10-22)16(12-14)21-18(23)11-13-5-1-2-6-15(13)20/h1-2,5-8,12H,3-4,9-11H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.281 kcal/mol

Physical Properties
Molecular Weight: 332.806 g/mol	logS: -4.9254	SlogP: 4.26047	Reactive groups: 0

Topological Properties
Globularity: 0.0875167	Sterimol/B1: 2.98357	Sterimol/B2: 4.35605	Sterimol/B3: 4.63103
Sterimol/B4: 6.91735	Sterimol/L: 15.8284

Surface and Volume Properties
Accessible surface: 574.48	Positive charged surface: 337.747	Negative charged surface: 236.733	Volume: 308.125
Hydrophobic surface: 530.103	Hydrophilic surface: 44.377

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.