MMsINC Database Search


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MMsINC code: MMs00285595

Type: Neutral
Formula: C₂₅H₁₈O

SMILES:

O1c2c(C=CC1(c1ccccc1)c1ccccc1)c1c(cc2)cccc1

InChI:

InChI=1/C25H18O/c1-3-10-20(11-4-1)25(21-12-5-2-6-13-21)18-17-23-22-14-8-7-9-19(22)15-16-24(23)26-25/h1-18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.984 kcal/mol

Physical Properties
Molecular Weight: 334.418 g/mol	logS: -7.47716	SlogP: 6.5007	Reactive groups: 0

Topological Properties
Globularity: 0.221225	Sterimol/B1: 2.55971	Sterimol/B2: 4.20614	Sterimol/B3: 4.40877
Sterimol/B4: 8.04294	Sterimol/L: 15.9991

Surface and Volume Properties
Accessible surface: 575.303	Positive charged surface: 305.601	Negative charged surface: 260.243	Volume: 339.125
Hydrophobic surface: 568.8	Hydrophilic surface: 6.503

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.