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BACHEM-ZINC00402826

 MMsINC code: MMs00482124
Type: Neutral
Formula: C7H10N2O2
SMILES:   O=C1NCC(=O)N2C1CCC2
InChI:   InChI=1/C7H10N2O2/c10-6-4-8-7(11)5-2-1-3-9(5)6/h5H,1-4H2,(H,8,11)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=57.7419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.169 g/mol  logS: -0.53091  SlogP: -0.8928  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129471  Sterimol/B1: 2.71713  Sterimol/B2: 3.05187  Sterimol/B3: 4.13864
  Sterimol/B4: 4.48412  Sterimol/L: 9.36104 
 
 Surface and Volume Properties
  Accessible surface: 319.382  Positive charged surface: 237.283  Negative charged surface: 82.0986  Volume: 140.375
  Hydrophobic surface: 194.647  Hydrophilic surface: 124.735
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.