MMsINC Database Search


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MMsINC code: MMs02216318

Type: Neutral
Formula: C₁₅H₁₃ClFNO₂

SMILES:

Clc1cc(C)c(OC(=O)Nc2ccc(F)cc2)c(c1)C

InChI:

InChI=1/C15H13ClFNO2/c1-9-7-11(16)8-10(2)14(9)20-15(19)18-13-5-3-12(17)4-6-13/h3-8H,1-2H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.4125 kcal/mol

Physical Properties
Molecular Weight: 293.725 g/mol	logS: -4.74633	SlogP: 4.70684	Reactive groups: 0

Topological Properties
Globularity: 0.0960756	Sterimol/B1: 2.20866	Sterimol/B2: 2.36329	Sterimol/B3: 4.90159
Sterimol/B4: 6.93511	Sterimol/L: 15.5816

Surface and Volume Properties
Accessible surface: 509.669	Positive charged surface: 238.939	Negative charged surface: 270.73	Volume: 263.125
Hydrophobic surface: 469.55	Hydrophilic surface: 40.119

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.