MMsINC Database Search


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MMsINC code: MMs02876402

Type: Neutral
Formula: C₂₄H₂₀O₂

SMILES:

OC1(C(=C(C(=O)C1C)c1ccccc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H20O2/c1-17-23(25)21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)24(17,26)20-15-9-4-10-16-20/h2-17,26H,1H3/t17-,24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.394 kcal/mol

Physical Properties
Molecular Weight: 340.422 g/mol	logS: -5.78058	SlogP: 5.0155	Reactive groups: 1

Topological Properties
Globularity: 0.234532	Sterimol/B1: 2.59654	Sterimol/B2: 3.824	Sterimol/B3: 4.98903
Sterimol/B4: 9.0879	Sterimol/L: 14.2853

Surface and Volume Properties
Accessible surface: 566.136	Positive charged surface: 316.766	Negative charged surface: 249.37	Volume: 342.375
Hydrophobic surface: 486.122	Hydrophilic surface: 80.014

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.