MMsINC Database Search


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MMsINC code: MMs03786898

Type: Neutral
Formula: C₁₃H₉ClFNO₂

SMILES:

Clc1cc(C(=O)Nc2ccc(F)cc2)c(O)cc1

InChI:

InChI=1/C13H9ClFNO2/c14-8-1-6-12(17)11(7-8)13(18)16-10-4-2-9(15)3-5-10/h1-7,17H,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.2791 kcal/mol

Physical Properties
Molecular Weight: 265.671 g/mol	logS: -4.02219	SlogP: 3.437	Reactive groups: 0

Topological Properties
Globularity: 0.0253838	Sterimol/B1: 2.1147	Sterimol/B2: 3.24231	Sterimol/B3: 3.36165
Sterimol/B4: 5.92407	Sterimol/L: 14.5057

Surface and Volume Properties
Accessible surface: 455.043	Positive charged surface: 206.217	Negative charged surface: 248.826	Volume: 224.5
Hydrophobic surface: 380.997	Hydrophilic surface: 74.046

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.