MMsINC Database Search


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MMsINC code: MMs02334575

Type: Neutral
Formula: C₁₄H₁₂F₂O₂

SMILES:

Fc1cc(OC)c(cc1)-c1ccc(F)cc1OC

InChI:

InChI=1/C14H12F2O2/c1-17-13-7-9(15)3-5-11(13)12-6-4-10(16)8-14(12)18-2/h3-8H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.4302 kcal/mol

Physical Properties
Molecular Weight: 250.244 g/mol	logS: -4.50198	SlogP: 3.649	Reactive groups: 0

Topological Properties
Globularity: 0.236201	Sterimol/B1: 2.11902	Sterimol/B2: 2.21673	Sterimol/B3: 5.30853
Sterimol/B4: 6.31581	Sterimol/L: 12.5505

Surface and Volume Properties
Accessible surface: 453.782	Positive charged surface: 287.498	Negative charged surface: 164.372	Volume: 225.625
Hydrophobic surface: 449.295	Hydrophilic surface: 4.487

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.