MMsINC Database Search


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MMsINC code: MMs02908055

Type: Neutral
Formula: C₁₁H₉F₂NO

SMILES:

FC(F)Oc1ccccc1-n1cccc1

InChI:

InChI=1/C11H9F2NO/c12-11(13)15-10-6-2-1-5-9(10)14-7-3-4-8-14/h1-8,11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.8106 kcal/mol

Physical Properties
Molecular Weight: 209.195 g/mol	logS: -1.68022	SlogP: 3.4986	Reactive groups: 0

Topological Properties
Globularity: 0.0814518	Sterimol/B1: 2.52962	Sterimol/B2: 2.74445	Sterimol/B3: 3.20741
Sterimol/B4: 7.40696	Sterimol/L: 11.0907

Surface and Volume Properties
Accessible surface: 390.625	Positive charged surface: 187.644	Negative charged surface: 202.981	Volume: 188.125
Hydrophobic surface: 282.942	Hydrophilic surface: 107.683

Pharmacophoric Properties
Hydrogen bond donors: 0	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.