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MMsINC code: MMs00493697

Type: Neutral
Formula: C₁₈H₁₆ClFN₂O₂

SMILES:

Clc1ccc(N2CC(CC2=O)C(=O)Nc2cc(ccc2F)C)cc1

InChI:

InChI=1/C18H16ClFN2O2/c1-11-2-7-15(20)16(8-11)21-18(24)12-9-17(23)22(10-12)14-5-3-13(19)4-6-14/h2-8,12H,9-10H2,1H3,(H,21,24)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.1178 kcal/mol

Physical Properties
Molecular Weight: 346.789 g/mol	logS: -4.76784	SlogP: 3.77912	Reactive groups: 0

Topological Properties
Globularity: 0.0507988	Sterimol/B1: 2.20094	Sterimol/B2: 2.56198	Sterimol/B3: 4.12921
Sterimol/B4: 6.81468	Sterimol/L: 18.4525

Surface and Volume Properties
Accessible surface: 578.868	Positive charged surface: 297.527	Negative charged surface: 281.34	Volume: 308.875
Hydrophobic surface: 511.355	Hydrophilic surface: 67.513

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.