MMsINC Database Search


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MMsINC code: MMs02661309

Type: Neutral
Formula: C₁₄H₇F₃O₂

SMILES:

FC(F)(F)C=1Oc2c(ccc3c2cccc3)C(=O)C=1

InChI:

InChI=1/C14H7F3O2/c15-14(16,17)12-7-11(18)10-6-5-8-3-1-2-4-9(8)13(10)19-12/h1-7H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.503 kcal/mol

Physical Properties
Molecular Weight: 264.202 g/mol	logS: -5.74146	SlogP: 4.281	Reactive groups: 1

Topological Properties
Globularity: 0.0127516	Sterimol/B1: 2.15329	Sterimol/B2: 2.81645	Sterimol/B3: 3.49868
Sterimol/B4: 6.00529	Sterimol/L: 12.5156

Surface and Volume Properties
Accessible surface: 425.632	Positive charged surface: 151.956	Negative charged surface: 262.605	Volume: 211.375
Hydrophobic surface: 278.71	Hydrophilic surface: 146.922

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.