MMsINC Database Search


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MMsINC code: MMs03297664

Type: Neutral
Formula: C₁₀H₂₀O₆

SMILES:

O1C(COC)C(OC)C(OC)C(OC)C1O

InChI:

InChI=1/C10H20O6/c1-12-5-6-7(13-2)8(14-3)9(15-4)10(11)16-6/h6-11H,5H2,1-4H3/t6-,7-,8+,9-,10+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.2467 kcal/mol

Physical Properties
Molecular Weight: 236.264 g/mol	logS: -0.13077	SlogP: -0.605	Reactive groups: 0

Topological Properties
Globularity: 0.102305	Sterimol/B1: 3.15956	Sterimol/B2: 3.37444	Sterimol/B3: 3.39469
Sterimol/B4: 6.523	Sterimol/L: 13.0656

Surface and Volume Properties
Accessible surface: 462.271	Positive charged surface: 420.137	Negative charged surface: 42.1345	Volume: 227.875
Hydrophobic surface: 386.695	Hydrophilic surface: 75.576

Pharmacophoric Properties
Hydrogen bond donors: 1	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.