MMsINC Database Search


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MMsINC code: MMs00057513

Type: Neutral
Formula: C₂₄H₁₈O₂

SMILES:

O(C)c1cc(ccc1)C(=O)\C=C\c1c2c(cc3c1cccc3)cccc2

InChI:

InChI=1/C24H18O2/c1-26-20-10-6-9-19(16-20)24(25)14-13-23-21-11-4-2-7-17(21)15-18-8-3-5-12-22(18)23/h2-16H,1H3/b14-13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.738 kcal/mol

Physical Properties
Molecular Weight: 338.406 g/mol	logS: -7.76965	SlogP: 5.8977	Reactive groups: 1

Topological Properties
Globularity: 0.0377136	Sterimol/B1: 3.42691	Sterimol/B2: 3.51785	Sterimol/B3: 5.2812
Sterimol/B4: 7.0169	Sterimol/L: 17.8352

Surface and Volume Properties
Accessible surface: 594.283	Positive charged surface: 333.334	Negative charged surface: 244.08	Volume: 342.375
Hydrophobic surface: 550.086	Hydrophilic surface: 44.197

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.