MMsINC Database Search


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MMsINC code: MMs03540783

Type: Neutral
Formula: C₂₀H₁₃FO₂

SMILES:

FC1=CC(O)C(O)c2c1c1c3c4c(cc1)cccc4ccc3c2

InChI:

InChI=1/C20H13FO2/c21-15-9-16(22)20(23)14-8-12-5-4-10-2-1-3-11-6-7-13(19(14)15)18(12)17(10)11/h1-9,16,20,22-23H/t16-,20+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.5346 kcal/mol

Physical Properties
Molecular Weight: 304.32 g/mol	logS: -7.05596	SlogP: 4.3978	Reactive groups: 0

Topological Properties
Globularity: 0.0313521	Sterimol/B1: 3.20411	Sterimol/B2: 3.34358	Sterimol/B3: 4.47979
Sterimol/B4: 5.54219	Sterimol/L: 14.1982

Surface and Volume Properties
Accessible surface: 487.858	Positive charged surface: 257.759	Negative charged surface: 196.886	Volume: 275.5
Hydrophobic surface: 391.545	Hydrophilic surface: 96.313

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.