MMsINC Database Search


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MMsINC code: MMs03538704

Type: Neutral
Formula: C₂₀H₁₃FO₂

SMILES:

Fc1cc2c3C=CC4=CC(O)C(O)c5c4c3c(cc2cc1)cc5

InChI:

InChI=1/C20H13FO2/c21-13-4-1-10-7-11-3-6-15-19-12(8-17(22)20(15)23)2-5-14(18(11)19)16(10)9-13/h1-9,17,20,22-23H/t17-,20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.1749 kcal/mol

Physical Properties
Molecular Weight: 304.32 g/mol	logS: -6.27013	SlogP: 4.0457	Reactive groups: 0

Topological Properties
Globularity: 0.0412663	Sterimol/B1: 3.52324	Sterimol/B2: 3.61034	Sterimol/B3: 4.01184
Sterimol/B4: 6.15473	Sterimol/L: 14.1585

Surface and Volume Properties
Accessible surface: 490.837	Positive charged surface: 254.904	Negative charged surface: 213.791	Volume: 276.625
Hydrophobic surface: 390.218	Hydrophilic surface: 100.619

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.