MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02301625

Type: Neutral
Formula: C₂₃H₃₂O₂

SMILES:

O(C)c1cc(C)c(cc1C(C)C)Cc1cc(C(C)C)c(OC)cc1C

InChI:

InChI=1/C23H32O2/c1-14(2)20-12-18(16(5)9-22(20)24-7)11-19-13-21(15(3)4)23(25-8)10-17(19)6/h9-10,12-15H,11H2,1-8H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.31 kcal/mol

Physical Properties
Molecular Weight: 340.507 g/mol	logS: -6.93168	SlogP: 6.15821	Reactive groups: 0

Topological Properties
Globularity: 0.272997	Sterimol/B1: 2.41782	Sterimol/B2: 4.19434	Sterimol/B3: 6.58109
Sterimol/B4: 7.84882	Sterimol/L: 15.2593

Surface and Volume Properties
Accessible surface: 618.328	Positive charged surface: 473.129	Negative charged surface: 145.199	Volume: 378.625
Hydrophobic surface: 542.952	Hydrophilic surface: 75.376

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.