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NCID-ZINC01694792

 MMsINC code: MMs02325931
Type: Neutral
Formula: C10H19NO3
SMILES:   O(C(=O)C)CCN(C(=O)C)CCCC
InChI:   InChI=1/C10H19NO3/c1-4-5-6-11(9(2)12)7-8-14-10(3)13/h4-8H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.1061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.266 g/mol  logS: -1.12421  SlogP: 1.1981  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0807208  Sterimol/B1: 2.99357  Sterimol/B2: 3.49664  Sterimol/B3: 3.69065
  Sterimol/B4: 5.19586  Sterimol/L: 14.6384 
 
 Surface and Volume Properties
  Accessible surface: 448.426  Positive charged surface: 319.843  Negative charged surface: 128.583  Volume: 212.125
  Hydrophobic surface: 355.704  Hydrophilic surface: 92.722
 
 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.