MMsINC Database Search


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MMsINC code: MMs01247590

Type: Neutral
Formula: C₂₄H₂₆O

SMILES:

Oc1ccc(cc1C(C)(C)c1ccccc1)C(C)(C)c1ccccc1

InChI:

InChI=1/C24H26O/c1-23(2,18-11-7-5-8-12-18)20-15-16-22(25)21(17-20)24(3,4)19-13-9-6-10-14-19/h5-17,25H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.484 kcal/mol

Physical Properties
Molecular Weight: 330.471 g/mol	logS: -7.00312	SlogP: 6.044	Reactive groups: 0

Topological Properties
Globularity: 0.172319	Sterimol/B1: 2.41357	Sterimol/B2: 3.98382	Sterimol/B3: 4.00715
Sterimol/B4: 7.23309	Sterimol/L: 14.6079

Surface and Volume Properties
Accessible surface: 581.401	Positive charged surface: 346.655	Negative charged surface: 234.746	Volume: 354.875
Hydrophobic surface: 496.282	Hydrophilic surface: 85.119

Pharmacophoric Properties
Hydrogen bond donors: 1	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.