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MMsINC code: MMs02509724

Type: Neutral
Formula: C₁₀H₁₇NO₅

SMILES:

O(C(=O)C)C1CN2C(C(O)C1O)C(O)CC2

InChI:

InChI=1/C10H17NO5/c1-5(12)16-7-4-11-3-2-6(13)8(11)10(15)9(7)14/h6-10,13-15H,2-4H2,1H3/t6-,7+,8-,9+,10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.4999 kcal/mol

Physical Properties
Molecular Weight: 231.248 g/mol	logS: 0.20421	SlogP: -1.9113	Reactive groups: 0

Topological Properties
Globularity: 0.0877622	Sterimol/B1: 3.08035	Sterimol/B2: 3.27987	Sterimol/B3: 3.78278
Sterimol/B4: 5.33384	Sterimol/L: 13.2956

Surface and Volume Properties
Accessible surface: 435.203	Positive charged surface: 330.705	Negative charged surface: 104.497	Volume: 209.25
Hydrophobic surface: 271.018	Hydrophilic surface: 164.185

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs02509725
NCID-ZINC05884834