MMsINC Database Search


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MMsINC code: MMs02550254

Type: Neutral
Formula: C₂₀H₁₆F₂O

SMILES:

Fc1ccc(cc1)C(O)(c1cc(ccc1)C)c1ccc(F)cc1

InChI:

InChI=1/C20H16F2O/c1-14-3-2-4-17(13-14)20(23,15-5-9-18(21)10-6-15)16-7-11-19(22)12-8-16/h2-13,23H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.085 kcal/mol

Physical Properties
Molecular Weight: 310.343 g/mol	logS: -5.75558	SlogP: 4.86892	Reactive groups: 0

Topological Properties
Globularity: 0.405698	Sterimol/B1: 2.47969	Sterimol/B2: 5.17377	Sterimol/B3: 5.83947
Sterimol/B4: 6.6437	Sterimol/L: 12.2532

Surface and Volume Properties
Accessible surface: 527.293	Positive charged surface: 268.312	Negative charged surface: 258.981	Volume: 294.125
Hydrophobic surface: 506.054	Hydrophilic surface: 21.239

Pharmacophoric Properties
Hydrogen bond donors: 1	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.