MMsINC Database Search


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MMsINC code: MMs02202703

Type: Neutral
Formula: C₁₅H₂₆O₆

SMILES:

O1C2C(OC1(C)C)C1OC(OC1OC2COC(C)C)(C)C

InChI:

InChI=1/C15H26O6/c1-8(2)16-7-9-10-11(19-14(3,4)18-10)12-13(17-9)21-15(5,6)20-12/h8-13H,7H2,1-6H3/t9-,10-,11-,12+,13+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.4209 kcal/mol

Physical Properties
Molecular Weight: 302.367 g/mol	logS: -2.84881	SlogP: 1.8079	Reactive groups: 0

Topological Properties
Globularity: 0.133038	Sterimol/B1: 2.83662	Sterimol/B2: 4.25278	Sterimol/B3: 5.96542
Sterimol/B4: 6.2303	Sterimol/L: 13.2011

Surface and Volume Properties
Accessible surface: 548.852	Positive charged surface: 394.663	Negative charged surface: 154.188	Volume: 296.125
Hydrophobic surface: 380.024	Hydrophilic surface: 168.828

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 5

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.