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NCID-ZINC01606461

 MMsINC code: MMs02258417
Type: Neutral
Formula: C10H19NO4
SMILES:   O(C(=O)CCNCCC(OCC)=O)CC
InChI:   InChI=1/C10H19NO4/c1-3-14-9(12)5-7-11-8-6-10(13)15-4-2/h11H,3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.0865831 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.265 g/mol  logS: -0.59208  SlogP: 0.4824  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0160282  Sterimol/B1: 2.44059  Sterimol/B2: 2.47702  Sterimol/B3: 2.50199
  Sterimol/B4: 3.47377  Sterimol/L: 19.3724 
 
 Surface and Volume Properties
  Accessible surface: 505.061  Positive charged surface: 386.334  Negative charged surface: 118.727  Volume: 220.5
  Hydrophobic surface: 359.833  Hydrophilic surface: 145.228
 
 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


MMs02258418
NCID-ZINC01606461