MMsINC Database Search


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MMsINC code: MMs00262257

Type: Neutral
Formula: C₂₅H₁₈O₂

SMILES:

O1c2c(C=CC1(c1ccc(O)cc1)c1ccccc1)c1c(cc2)cccc1

InChI:

InChI=1/C25H18O2/c26-21-13-11-20(12-14-21)25(19-7-2-1-3-8-19)17-16-23-22-9-5-4-6-18(22)10-15-24(23)27-25/h1-17,26H/t25-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.634 kcal/mol

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

Topological Properties
Globularity: 0.22039	Sterimol/B1: 2.40915	Sterimol/B2: 4.22385	Sterimol/B3: 4.39704
Sterimol/B4: 8.77035	Sterimol/L: 15.9958

Surface and Volume Properties
Accessible surface: 587.066	Positive charged surface: 319.387	Negative charged surface: 257.04	Volume: 346
Hydrophobic surface: 528.627	Hydrophilic surface: 58.439

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.