MMsINC Database Search


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MMsINC code: MMs03406678

Type: Neutral
Formula: C₂₄H₂₄O₂

SMILES:

O(Cc1ccc(cc1)C(C)(C)C)C(=O)\C=C/c1c2c(ccc1)cccc2

InChI:

InChI=1/C24H24O2/c1-24(2,3)21-14-11-18(12-15-21)17-26-23(25)16-13-20-9-6-8-19-7-4-5-10-22(19)20/h4-16H,17H2,1-3H3/b16-13-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.23 kcal/mol

Physical Properties
Molecular Weight: 344.454 g/mol	logS: -7.93779	SlogP: 6.1603	Reactive groups: 0

Topological Properties
Globularity: 0.0449105	Sterimol/B1: 2.14533	Sterimol/B2: 4.32961	Sterimol/B3: 4.76237
Sterimol/B4: 5.30266	Sterimol/L: 19.638

Surface and Volume Properties
Accessible surface: 643.307	Positive charged surface: 380.839	Negative charged surface: 253.353	Volume: 360.5
Hydrophobic surface: 564.765	Hydrophilic surface: 78.542

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.