MMsINC Database Search


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MMsINC code: MMs03346146

Type: Neutral
Formula: C₂₄H₂₄O₂

SMILES:

O(C(=O)C(c1ccccc1)c1ccccc1)c1cc(ccc1C(C)C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.625 kcal/mol

Physical Properties
Molecular Weight: 344.454 g/mol	logS: -6.8677	SlogP: 5.85592	Reactive groups: 0

Topological Properties
Globularity: 0.246496	Sterimol/B1: 2.70809	Sterimol/B2: 3.57485	Sterimol/B3: 5.9767
Sterimol/B4: 8.56411	Sterimol/L: 13.4768

Surface and Volume Properties
Accessible surface: 605.493	Positive charged surface: 358.671	Negative charged surface: 246.822	Volume: 361.375
Hydrophobic surface: 554.246	Hydrophilic surface: 51.247

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.