MMsINC Database Search


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MMsINC code: MMs02550255

Type: Neutral
Formula: C₂₀H₁₆F₂O

SMILES:

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

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.194 kcal/mol

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

Topological Properties
Globularity: 0.275111	Sterimol/B1: 3.48544	Sterimol/B2: 4.60954	Sterimol/B3: 6.03139
Sterimol/B4: 6.14268	Sterimol/L: 12.253

Surface and Volume Properties
Accessible surface: 523.697	Positive charged surface: 267.689	Negative charged surface: 256.008	Volume: 296.125
Hydrophobic surface: 502.692	Hydrophilic surface: 21.005

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.