MMsINC Database Search


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MMsINC code: MMs03547177

Type: Neutral
Formula: C₁₉H₁₃FO

SMILES:

Fc1c2c(c3c(c1)c(c1c(c3)cccc1)CO)cccc2

InChI:

InChI=1/C19H13FO/c20-19-10-17-16(14-7-3-4-8-15(14)19)9-12-5-1-2-6-13(12)18(17)11-21/h1-10,21H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.9206 kcal/mol

Physical Properties
Molecular Weight: 276.31 g/mol	logS: -7.08452	SlogP: 5.044	Reactive groups: 0

Topological Properties
Globularity: 0.01181	Sterimol/B1: 2.23234	Sterimol/B2: 2.63403	Sterimol/B3: 2.9143
Sterimol/B4: 7.48752	Sterimol/L: 14.3131

Surface and Volume Properties
Accessible surface: 479.924	Positive charged surface: 229.204	Negative charged surface: 218.07	Volume: 264.5
Hydrophobic surface: 421.811	Hydrophilic surface: 58.113

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.