MMsINC Database Search


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MMsINC code: MMs03363725

Type: Neutral
Formula: C₁₅H₃₀O₁₀

SMILES:

O1C(COCCO)C(OCCO)C(OCCO)C(OCCO)C1OC

InChI:

InChI=1/C15H30O10/c1-20-15-14(24-9-5-19)13(23-8-4-18)12(22-7-3-17)11(25-15)10-21-6-2-16/h11-19H,2-10H2,1H3/t11-,12-,13-,14+,15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.706 kcal/mol

Physical Properties
Molecular Weight: 370.395 g/mol	logS: 0.33421	SlogP: -2.5009	Reactive groups: 0

Topological Properties
Globularity: 0.485321	Sterimol/B1: 2.55716	Sterimol/B2: 4.3275	Sterimol/B3: 7.28948
Sterimol/B4: 10.574	Sterimol/L: 13.3986

Surface and Volume Properties
Accessible surface: 676.63	Positive charged surface: 605.959	Negative charged surface: 70.671	Volume: 346.5
Hydrophobic surface: 473.537	Hydrophilic surface: 203.093

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 10	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: 0

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Ions/Tautomers related molecules: no related molecules available.