MMsINC Database Search


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MMsINC code: MMs00650486

Type: Neutral
Formula: C₂₀H₁₈O₂

SMILES:

O(CC(=O)c1cc(C)c(cc1)C)c1cc2c(cc1)cccc2

InChI:

InChI=1/C20H18O2/c1-14-7-8-18(11-15(14)2)20(21)13-22-19-10-9-16-5-3-4-6-17(16)12-19/h3-12H,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.2792 kcal/mol

Physical Properties
Molecular Weight: 290.362 g/mol	logS: -6.36023	SlogP: 4.71834	Reactive groups: 0

Topological Properties
Globularity: 0.00492393	Sterimol/B1: 2.37623	Sterimol/B2: 2.51191	Sterimol/B3: 2.67854
Sterimol/B4: 5.47715	Sterimol/L: 18.2868

Surface and Volume Properties
Accessible surface: 561.209	Positive charged surface: 303.872	Negative charged surface: 246.946	Volume: 299.375
Hydrophobic surface: 517.834	Hydrophilic surface: 43.375

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.