MMsINC Database Search


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MMsINC code: MMs02145239

Type: Neutral
Formula: C₁₄H₁₁F₃O

SMILES:

FC(F)(F)c1ccc(OCc2ccccc2)cc1

InChI:

InChI=1/C14H11F3O/c15-14(16,17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.4152 kcal/mol

Physical Properties
Molecular Weight: 252.235 g/mol	logS: -4.25971	SlogP: 4.8623	Reactive groups: 0

Topological Properties
Globularity: 0.0697375	Sterimol/B1: 3.61684	Sterimol/B2: 3.62264	Sterimol/B3: 3.62858
Sterimol/B4: 3.85207	Sterimol/L: 15.148

Surface and Volume Properties
Accessible surface: 464.555	Positive charged surface: 200.744	Negative charged surface: 263.811	Volume: 225.125
Hydrophobic surface: 351.599	Hydrophilic surface: 112.956

Pharmacophoric Properties
Hydrogen bond donors: 0	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.