MMsINC Database Search


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MMsINC code: MMs02531433

Type: Neutral
Formula: C₁₀H₇F₂NO

SMILES:

FC(F)Oc1c2ncccc2ccc1

InChI:

InChI=1/C10H7F2NO/c11-10(12)14-8-5-1-3-7-4-2-6-13-9(7)8/h1-6,10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.103 kcal/mol

Physical Properties
Molecular Weight: 195.168 g/mol	logS: -2.10767	SlogP: 3.2561	Reactive groups: 0

Topological Properties
Globularity: 0.0205301	Sterimol/B1: 2.46786	Sterimol/B2: 2.63747	Sterimol/B3: 2.63868
Sterimol/B4: 6.40249	Sterimol/L: 10.9171

Surface and Volume Properties
Accessible surface: 357.084	Positive charged surface: 192.356	Negative charged surface: 159.192	Volume: 165
Hydrophobic surface: 252.607	Hydrophilic surface: 104.477

Pharmacophoric Properties
Hydrogen bond donors: 0	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.