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MMsINC code: MMs01436945

Type: Neutral
Formula: C₁₈H₁₈ClFN₂O₂

SMILES:

Clc1cccc(F)c1CN(CC(=O)Nc1cc(ccc1)C(=O)C)C

InChI:

InChI=1/C18H18ClFN2O2/c1-12(23)13-5-3-6-14(9-13)21-18(24)11-22(2)10-15-16(19)7-4-8-17(15)20/h3-9H,10-11H2,1-2H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.3017 kcal/mol

Physical Properties
Molecular Weight: 348.805 g/mol	logS: -4.5943	SlogP: 4.0186	Reactive groups: 0

Topological Properties
Globularity: 0.0571748	Sterimol/B1: 2.57285	Sterimol/B2: 3.2662	Sterimol/B3: 4.96333
Sterimol/B4: 7.34303	Sterimol/L: 16.316

Surface and Volume Properties
Accessible surface: 595.652	Positive charged surface: 333.698	Negative charged surface: 261.954	Volume: 319.375
Hydrophobic surface: 511.925	Hydrophilic surface: 83.727

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs01436946
ENAMINE-ZINC03430034