MMsINC Database Search


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MMsINC code: MMs02353295

Type: Neutral
Formula: C₂₅H₁₈O₂

SMILES:

o1c2c(c3c(cc2)cccc3)c(c1-c1ccccc1)-c1ccc(OC)cc1

InChI:

InChI=1/C25H18O2/c1-26-20-14-11-18(12-15-20)23-24-21-10-6-5-7-17(21)13-16-22(24)27-25(23)19-8-3-2-4-9-19/h2-16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.941 kcal/mol

Physical Properties
Molecular Weight: 350.417 g/mol	logS: -9.58003	SlogP: 6.9286	Reactive groups: 0

Topological Properties
Globularity: 0.076471	Sterimol/B1: 2.40673	Sterimol/B2: 2.89666	Sterimol/B3: 4.24945
Sterimol/B4: 10.8906	Sterimol/L: 14.912

Surface and Volume Properties
Accessible surface: 602.613	Positive charged surface: 362.005	Negative charged surface: 224.018	Volume: 350.625
Hydrophobic surface: 584.555	Hydrophilic surface: 18.058

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