MMsINC Database Search


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MMsINC code: MMs02582986

Type: Neutral
Formula: C₂₀H₁₇FO₂

SMILES:

Fc1ccc(cc1)C(C)(c1ccc(O)cc1)c1ccc(O)cc1

InChI:

InChI=1/C20H17FO2/c1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16/h2-13,22-23H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.672 kcal/mol

Physical Properties
Molecular Weight: 308.352 g/mol	logS: -5.23002	SlogP: 4.5912	Reactive groups: 0

Topological Properties
Globularity: 0.288217	Sterimol/B1: 1.969	Sterimol/B2: 5.08638	Sterimol/B3: 6.36709
Sterimol/B4: 6.55039	Sterimol/L: 13.0578

Surface and Volume Properties
Accessible surface: 520.778	Positive charged surface: 291.1	Negative charged surface: 229.678	Volume: 295.75
Hydrophobic surface: 403.944	Hydrophilic surface: 116.834

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.