MMsINC Database Search


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

MMsINC code: MMs03149874

Type: Neutral
Formula: C₁₀H₁₉NO₆

SMILES:

O1C(CO)C(O)C(O)C(O)C1NC(=O)CCC

InChI:

InChI=1/C10H19NO6/c1-2-3-6(13)11-10-9(16)8(15)7(14)5(4-12)17-10/h5,7-10,12,14-16H,2-4H2,1H3,(H,11,13)/t5-,7+,8+,9-,10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.563 kcal/mol

Physical Properties
Molecular Weight: 249.263 g/mol	logS: 0.15049	SlogP: -2.2974	Reactive groups: 0

Topological Properties
Globularity: 0.0654442	Sterimol/B1: 2.98078	Sterimol/B2: 3.28428	Sterimol/B3: 5.04264
Sterimol/B4: 5.28621	Sterimol/L: 13.7889

Surface and Volume Properties
Accessible surface: 476.214	Positive charged surface: 357.501	Negative charged surface: 118.713	Volume: 227.375
Hydrophobic surface: 236.024	Hydrophilic surface: 240.19

Pharmacophoric Properties
Hydrogen bond donors: 5	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.