MMsINC Database Search


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MMsINC code: MMs00014858

Type: Neutral
Formula: C₇H₆F₂O

SMILES:

Fc1ccc(F)cc1OC

InChI:

InChI=1/C7H6F2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.4725 kcal/mol

Physical Properties
Molecular Weight: 144.12 g/mol	logS: -2.02522	SlogP: 1.9734	Reactive groups: 0

Topological Properties
Globularity: 0.0227886	Sterimol/B1: 2.37369	Sterimol/B2: 2.3767	Sterimol/B3: 4.1543
Sterimol/B4: 4.24703	Sterimol/L: 9.8448

Surface and Volume Properties
Accessible surface: 302.034	Positive charged surface: 171.664	Negative charged surface: 130.37	Volume: 124.5
Hydrophobic surface: 293.173	Hydrophilic surface: 8.861

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.