MMsINC Database Search


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MMsINC code: MMs03133796

Type: Neutral
Formula: C₁₀H₁₈O₆

SMILES:

O1C(CO)C(O)C2OC(OC2C1OC)(C)C

InChI:

InChI=1/C10H18O6/c1-10(2)15-7-6(12)5(4-11)14-9(13-3)8(7)16-10/h5-9,11-12H,4H2,1-3H3/t5-,6-,7-,8+,9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.0801 kcal/mol

Physical Properties
Molecular Weight: 234.248 g/mol	logS: -0.64481	SlogP: -0.769	Reactive groups: 0

Topological Properties
Globularity: 0.207631	Sterimol/B1: 2.23244	Sterimol/B2: 3.10782	Sterimol/B3: 5.03812
Sterimol/B4: 6.13906	Sterimol/L: 11.4657

Surface and Volume Properties
Accessible surface: 414.86	Positive charged surface: 322.399	Negative charged surface: 92.4608	Volume: 211.25
Hydrophobic surface: 256.929	Hydrophilic surface: 157.931

Pharmacophoric Properties
Hydrogen bond donors: 2	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.