MMsINC Database Search


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

MMsINC code: MMs02997113

Type: Neutral
Formula: C₂₃H₂₄O₃

SMILES:

O(CC)c1cc(-c2cc(ccc2O)C)c(C)c(c1)-c1cc(ccc1O)C

InChI:

InChI=1/C23H24O3/c1-5-26-17-12-18(20-10-14(2)6-8-22(20)24)16(4)19(13-17)21-11-15(3)7-9-23(21)25/h6-13,24-25H,5H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.475 kcal/mol

Physical Properties
Molecular Weight: 348.442 g/mol	logS: -7.31309	SlogP: 5.75576	Reactive groups: 0

Topological Properties
Globularity: 0.145124	Sterimol/B1: 1.969	Sterimol/B2: 4.43821	Sterimol/B3: 4.51924
Sterimol/B4: 10.3074	Sterimol/L: 16.3029

Surface and Volume Properties
Accessible surface: 644.751	Positive charged surface: 422.884	Negative charged surface: 218.739	Volume: 358.75
Hydrophobic surface: 539.327	Hydrophilic surface: 105.424

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.