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ENAMINE-ZINC03336141

 MMsINC code: MMs01379907
Type: Neutral
Formula: C7H10N2O3
SMILES:   O=C1N(CCCC)C(=O)NC1=O
InChI:   InChI=1/C7H10N2O3/c1-2-3-4-9-6(11)5(10)8-7(9)12/h2-4H2,1H3,(H,8,10,12)

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Potential Energy
Epot(MMFF94)=-15.3364 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.168 g/mol  logS: -1.466  SlogP: -0.1351  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103949  Sterimol/B1: 2.11208  Sterimol/B2: 3.78939  Sterimol/B3: 3.96999
  Sterimol/B4: 4.01303  Sterimol/L: 12.0144 
 
 Surface and Volume Properties
  Accessible surface: 356.426  Positive charged surface: 219.793  Negative charged surface: 136.632  Volume: 152.75
  Hydrophobic surface: 154.16  Hydrophilic surface: 202.266
 
 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: no related molecules available.