MMsINC Database Search


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MMsINC code: MMs02447104

Type: Neutral
Formula: C₂₄H₂₀O₂

SMILES:

O=C(\C(=C/C(=O)c1cc(C)c(cc1)C)\c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H20O2/c1-17-13-14-21(15-18(17)2)23(25)16-22(19-9-5-3-6-10-19)24(26)20-11-7-4-8-12-20/h3-16H,1-2H3/b22-16-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.07 kcal/mol

Physical Properties
Molecular Weight: 340.422 g/mol	logS: -7.02019	SlogP: 5.45264	Reactive groups: 1

Topological Properties
Globularity: 0.0858153	Sterimol/B1: 3.69038	Sterimol/B2: 4.64644	Sterimol/B3: 4.69643
Sterimol/B4: 7.20724	Sterimol/L: 15.065

Surface and Volume Properties
Accessible surface: 618.643	Positive charged surface: 332.601	Negative charged surface: 286.042	Volume: 351.375
Hydrophobic surface: 578.075	Hydrophilic surface: 40.568

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.