MMsINC Database Search


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MMsINC code: MMs00765318

Type: Neutral
Formula: C₁₄H₈F₂O₂

SMILES:

FC(F)C=1Oc2c(ccc3c2cccc3)C(=O)C=1

InChI:

InChI=1/C14H8F2O2/c15-14(16)12-7-11(17)10-6-5-8-3-1-2-4-9(8)13(10)18-12/h1-7,14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.7075 kcal/mol

Physical Properties
Molecular Weight: 246.212 g/mol	logS: -5.18658	SlogP: 3.9838	Reactive groups: 1

Topological Properties
Globularity: 0.0127046	Sterimol/B1: 2.63643	Sterimol/B2: 2.63972	Sterimol/B3: 3.50156
Sterimol/B4: 5.99019	Sterimol/L: 12.1667

Surface and Volume Properties
Accessible surface: 421.175	Positive charged surface: 179.303	Negative charged surface: 230.801	Volume: 209.875
Hydrophobic surface: 297.893	Hydrophilic surface: 123.282

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.