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NCID-ZINC01599410

 MMsINC code: MMs02252698
Type: Neutral
Formula: C10H19NO3
SMILES:   O(C(=O)CCC(=O)N(CC)CC)CC
InChI:   InChI=1/C10H19NO3/c1-4-11(5-2)9(12)7-8-10(13)14-6-3/h4-8H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.73519 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.266 g/mol  logS: -0.81076  SlogP: 1.1981  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0470935  Sterimol/B1: 2.43469  Sterimol/B2: 2.5129  Sterimol/B3: 3.37329
  Sterimol/B4: 6.29122  Sterimol/L: 14.9741 
 
 Surface and Volume Properties
  Accessible surface: 458.428  Positive charged surface: 334.692  Negative charged surface: 123.736  Volume: 211.25
  Hydrophobic surface: 323.094  Hydrophilic surface: 135.334
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.