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NCID-ZINC01720188

 MMsINC code: MMs02345161
Type: Neutral
Formula: C9H17NO4
SMILES:   O(C(=O)CCNCC(OCC)=O)CC
InChI:   InChI=1/C9H17NO4/c1-3-13-8(11)5-6-10-7-9(12)14-4-2/h10H,3-7H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.2817 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.238 g/mol  logS: -0.71016  SlogP: 0.0923  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0176844  Sterimol/B1: 2.42606  Sterimol/B2: 2.46587  Sterimol/B3: 2.7705
  Sterimol/B4: 3.66087  Sterimol/L: 18.1498 
 
 Surface and Volume Properties
  Accessible surface: 477.956  Positive charged surface: 359.619  Negative charged surface: 118.337  Volume: 204.875
  Hydrophobic surface: 326.935  Hydrophilic surface: 151.021
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.