MMsINC Database Search


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

MMsINC code: MMs03483197

Type: Neutral
Formula: C₁₉H₂₄O₇

SMILES:

O(C(C(O)c1cc(OC)c(O)cc1)CO)c1ccc(cc1O)CCCO

InChI:

InChI=1/C19H24O7/c1-25-17-10-13(5-6-14(17)22)19(24)18(11-21)26-16-7-4-12(3-2-8-20)9-15(16)23/h4-7,9-10,18-24H,2-3,8,11H2,1H3/t18-,19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.386 kcal/mol

Physical Properties
Molecular Weight: 364.394 g/mol	logS: -2.15882	SlogP: 1.60007	Reactive groups: 0

Topological Properties
Globularity: 0.167371	Sterimol/B1: 1.969	Sterimol/B2: 2.41422	Sterimol/B3: 6.79218
Sterimol/B4: 9.35869	Sterimol/L: 15.2945

Surface and Volume Properties
Accessible surface: 636.205	Positive charged surface: 476.795	Negative charged surface: 159.41	Volume: 341.125
Hydrophobic surface: 411.776	Hydrophilic surface: 224.429

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 7	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.