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NCID-ZINC01671041

 MMsINC code: MMs02307033
Type: Neutral
Formula: C10H18N2O3
SMILES:   O(C(=O)C)CCN1CCN(CC1)C(=O)C
InChI:   InChI=1/C10H18N2O3/c1-9(13)12-5-3-11(4-6-12)7-8-15-10(2)14/h3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.1318 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: -0.12674  SlogP: -0.2864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128831  Sterimol/B1: 3.02503  Sterimol/B2: 3.3904  Sterimol/B3: 4.01401
  Sterimol/B4: 4.62797  Sterimol/L: 14.221 
 
 Surface and Volume Properties
  Accessible surface: 448.117  Positive charged surface: 334.71  Negative charged surface: 113.408  Volume: 212.875
  Hydrophobic surface: 363.12  Hydrophilic surface: 84.997
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02307034
NCID-ZINC01671041