MMsINC Database Search


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

MMsINC code: MMs02305912

Type: Neutral
Formula: C₂₄H₂₂O₃

SMILES:

O(CCOCCOc1cc2c(cc1)cccc2)c1cc2c(cc1)cccc2

InChI:

InChI=1/C24H22O3/c1-3-7-21-17-23(11-9-19(21)5-1)26-15-13-25-14-16-27-24-12-10-20-6-2-4-8-22(20)18-24/h1-12,17-18H,13-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.539 kcal/mol

Physical Properties
Molecular Weight: 358.437 g/mol	logS: -7.17838	SlogP: 5.4674	Reactive groups: 0

Topological Properties
Globularity: 0.0845096	Sterimol/B1: 2.18799	Sterimol/B2: 4.06836	Sterimol/B3: 4.45332
Sterimol/B4: 8.10039	Sterimol/L: 19.2412

Surface and Volume Properties
Accessible surface: 691.08	Positive charged surface: 417.178	Negative charged surface: 252.107	Volume: 361.875
Hydrophobic surface: 677.083	Hydrophilic surface: 13.997

Pharmacophoric Properties
Hydrogen bond donors: 0	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.