MMsINC Database Search


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MMsINC code: MMs01452179

Type: Neutral
Formula: C₁₈H₂₀ClFN₂O

SMILES:

Clc1cccc(F)c1CN(CC(=O)NC(C)c1ccccc1)C

InChI:

InChI=1/C18H20ClFN2O/c1-13(14-7-4-3-5-8-14)21-18(23)12-22(2)11-15-16(19)9-6-10-17(15)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.6254 kcal/mol

Physical Properties
Molecular Weight: 334.822 g/mol	logS: -4.55328	SlogP: 4.1502	Reactive groups: 0

Topological Properties
Globularity: 0.069933	Sterimol/B1: 1.969	Sterimol/B2: 2.9915	Sterimol/B3: 4.70034
Sterimol/B4: 7.17111	Sterimol/L: 17.9491

Surface and Volume Properties
Accessible surface: 591.773	Positive charged surface: 333.13	Negative charged surface: 258.643	Volume: 317.625
Hydrophobic surface: 534.168	Hydrophilic surface: 57.605

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.