MMsINC Database Search


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MMsINC code: MMs03786900

Type: Neutral
Formula: C₁₃H₉ClFNO₂

SMILES:

Clc1ccc(NC(=O)c2cc(F)ccc2O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.0812 kcal/mol

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

Topological Properties
Globularity: 0.0248138	Sterimol/B1: 2.10976	Sterimol/B2: 3.2508	Sterimol/B3: 3.33068
Sterimol/B4: 5.04801	Sterimol/L: 15.4256

Surface and Volume Properties
Accessible surface: 454.958	Positive charged surface: 205.206	Negative charged surface: 249.752	Volume: 224
Hydrophobic surface: 380.912	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.