MMsINC Database Search


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MMsINC code: MMs02626409

Type: Neutral
Formula: C₁₈H₂₀F₂O₂

SMILES:

Fc1cc(O)ccc1C(C(C)(C)c1ccc(O)cc1F)(C)C

InChI:

InChI=1/C18H20F2O2/c1-17(2,13-7-5-11(21)9-15(13)19)18(3,4)14-8-6-12(22)10-16(14)20/h5-10,21-22H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.475 kcal/mol

Physical Properties
Molecular Weight: 306.352 g/mol	logS: -5.17622	SlogP: 4.6314	Reactive groups: 0

Topological Properties
Globularity: 0.281641	Sterimol/B1: 2.51574	Sterimol/B2: 3.79804	Sterimol/B3: 4.58518
Sterimol/B4: 7.84051	Sterimol/L: 12.4191

Surface and Volume Properties
Accessible surface: 472.695	Positive charged surface: 291.9	Negative charged surface: 180.795	Volume: 283.375
Hydrophobic surface: 316.089	Hydrophilic surface: 156.606

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.