MMsINC Database Search


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MMsINC code: MMs00255386

Type: Neutral
Formula: C₂₃H₁₆O

SMILES:

O=C1C=CC(c2c1cccc2)=C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H16O/c24-22-16-15-21(19-13-7-8-14-20(19)22)23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.61 kcal/mol

Physical Properties
Molecular Weight: 308.38 g/mol	logS: -6.69226	SlogP: 5.21549	Reactive groups: 1

Topological Properties
Globularity: 0.151121	Sterimol/B1: 2.49006	Sterimol/B2: 3.48268	Sterimol/B3: 3.97479
Sterimol/B4: 10.0244	Sterimol/L: 14.2807

Surface and Volume Properties
Accessible surface: 539.234	Positive charged surface: 293.785	Negative charged surface: 245.449	Volume: 313.625
Hydrophobic surface: 496.005	Hydrophilic surface: 43.229

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: 1

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Ions/Tautomers related molecules: no related molecules available.