MMsINC Database Search


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MMsINC code: MMs00286835

Type: Neutral
Formula: C₂₃H₁₈O

SMILES:

O=C(\C(=C/c1ccccc1)\c1ccccc1)\C=C\c1ccccc1

InChI:

InChI=1/C23H18O/c24-23(17-16-19-10-4-1-5-11-19)22(21-14-8-3-9-15-21)18-20-12-6-2-7-13-20/h1-18H/b17-16+,22-18+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.883 kcal/mol

Physical Properties
Molecular Weight: 310.396 g/mol	logS: -6.24682	SlogP: 5.5097	Reactive groups: 1

Topological Properties
Globularity: 0.0417595	Sterimol/B1: 3.40129	Sterimol/B2: 3.61995	Sterimol/B3: 4.93255
Sterimol/B4: 5.47037	Sterimol/L: 17.1849

Surface and Volume Properties
Accessible surface: 579.003	Positive charged surface: 310.356	Negative charged surface: 268.647	Volume: 325.5
Hydrophobic surface: 544.937	Hydrophilic surface: 34.066

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.