MMsINC Database Search


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MMsINC code: MMs03384163

Type: Neutral
Formula: C₂₄H₂₆O₂

SMILES:

OC(C)(c1ccccc1C)c1cc(ccc1)C(O)(C)c1ccccc1C

InChI:

InChI=1/C24H26O2/c1-17-10-5-7-14-21(17)23(3,25)19-12-9-13-20(16-19)24(4,26)22-15-8-6-11-18(22)2/h5-16,25-26H,1-4H3/t23-,24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=158.418 kcal/mol

Physical Properties
Molecular Weight: 346.47 g/mol	logS: -6.06498	SlogP: 5.43804	Reactive groups: 0

Topological Properties
Globularity: 0.109513	Sterimol/B1: 2.42475	Sterimol/B2: 3.4602	Sterimol/B3: 5.09501
Sterimol/B4: 6.35642	Sterimol/L: 16.412

Surface and Volume Properties
Accessible surface: 575.026	Positive charged surface: 339.173	Negative charged surface: 235.854	Volume: 358.375
Hydrophobic surface: 492.391	Hydrophilic surface: 82.635

Pharmacophoric Properties
Hydrogen bond donors: 2	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.