MMsINC Database Search


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MMsINC code: MMs03541018

Type: Neutral
Formula: C₂₀H₁₃FO₂

SMILES:

FC1=CC(O)C(O)c2c1cc-1c(-c3c4c-1cccc4ccc3)c2

InChI:

InChI=1/C20H13FO2/c21-17-9-18(22)20(23)16-8-14-12-6-2-4-10-3-1-5-11(19(10)12)13(14)7-15(16)17/h1-9,18,20,22-23H/t18-,20+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.906 kcal/mol

Physical Properties
Molecular Weight: 304.32 g/mol	logS: -7.05596	SlogP: 4.301	Reactive groups: 0

Topological Properties
Globularity: 0.0274011	Sterimol/B1: 2.47392	Sterimol/B2: 3.03271	Sterimol/B3: 3.53056
Sterimol/B4: 7.29055	Sterimol/L: 14.1672

Surface and Volume Properties
Accessible surface: 505.196	Positive charged surface: 264.672	Negative charged surface: 206.603	Volume: 278.875
Hydrophobic surface: 409.363	Hydrophilic surface: 95.833

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.