MMsINC Database Search


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MMsINC code: MMs02997237

Type: Neutral
Formula: C₂₄H₂₆O

SMILES:

OC(C)c1c(cccc1-c1c(cccc1C)C)-c1c(cccc1C)C

InChI:

InChI=1/C24H26O/c1-15-9-6-10-16(2)22(15)20-13-8-14-21(24(20)19(5)25)23-17(3)11-7-12-18(23)4/h6-14,19,25H,1-5H3/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.702 kcal/mol

Physical Properties
Molecular Weight: 330.471 g/mol	logS: -8.23155	SlogP: 6.40308	Reactive groups: 0

Topological Properties
Globularity: 0.23388	Sterimol/B1: 2.30075	Sterimol/B2: 4.63245	Sterimol/B3: 5.17293
Sterimol/B4: 7.28141	Sterimol/L: 14.6254

Surface and Volume Properties
Accessible surface: 552.006	Positive charged surface: 337.228	Negative charged surface: 214.214	Volume: 352.875
Hydrophobic surface: 522.269	Hydrophilic surface: 29.737

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.