MMsINC Database Search


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MMsINC code: MMs02202462

Type: Neutral
Formula: C₂₅H₁₈O₂

SMILES:

O1c2c(C=CC1(c1ccccc1)c1ccccc1)c1cc(O)ccc1cc2

InChI:

InChI=1/C25H18O2/c26-21-13-11-18-12-14-24-22(23(18)17-21)15-16-25(27-24,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-17,26H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.417 kcal/mol

Physical Properties
Molecular Weight: 350.417 g/mol	logS: -7.11521	SlogP: 6.2063	Reactive groups: 0

Topological Properties
Globularity: 0.225486	Sterimol/B1: 2.54899	Sterimol/B2: 4.13193	Sterimol/B3: 4.82448
Sterimol/B4: 8.103	Sterimol/L: 16.0386

Surface and Volume Properties
Accessible surface: 586.837	Positive charged surface: 319.387	Negative charged surface: 256.81	Volume: 346.875
Hydrophobic surface: 529.441	Hydrophilic surface: 57.396

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 0

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Ions/Tautomers related molecules: no related molecules available.