MMsINC Database Search


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MMsINC code: MMs02249688

Type: Neutral
Formula: C₁₂H₈F₂O₂

SMILES:

Fc1ccc(cc1O)-c1ccc(F)cc1O

InChI:

InChI=1/C12H8F2O2/c13-8-2-3-9(11(15)6-8)7-1-4-10(14)12(16)5-7/h1-6,15-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.85 kcal/mol

Physical Properties
Molecular Weight: 222.19 g/mol	logS: -3.67732	SlogP: 3.043	Reactive groups: 0

Topological Properties
Globularity: 0.0687632	Sterimol/B1: 2.14983	Sterimol/B2: 2.82108	Sterimol/B3: 3.46609
Sterimol/B4: 4.9172	Sterimol/L: 12.677

Surface and Volume Properties
Accessible surface: 397.811	Positive charged surface: 195.471	Negative charged surface: 197.053	Volume: 189
Hydrophobic surface: 310.225	Hydrophilic surface: 87.586

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.