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PUBCHEM-ZINC05967054

 MMsINC code: MMs03466863
Type: Neutral
Formula: C10H16N2O3
SMILES:   O(C(=O)C(=O)N1C2CCC1CN(C2)C)C
InChI:   InChI=1/C10H16N2O3/c1-11-5-7-3-4-8(6-11)12(7)9(13)10(14)15-2/h7-8H,3-6H2,1-2H3/t7-,8+

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Potential Energy
Epot(MMFF94)=91.6327 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.249 g/mol  logS: -0.6644  SlogP: -0.5356  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.182597  Sterimol/B1: 2.20952  Sterimol/B2: 3.68587  Sterimol/B3: 3.74721
  Sterimol/B4: 6.39038  Sterimol/L: 12.8401 
 
 Surface and Volume Properties
  Accessible surface: 412.525  Positive charged surface: 341.285  Negative charged surface: 71.2396  Volume: 201.875
  Hydrophobic surface: 338.277  Hydrophilic surface: 74.248
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03466864
PUBCHEM-ZINC05967054