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BACHEM-ZINC02572078

 MMsINC code: MMs00484446
Type: Neutral
Formula: C7H14N2O2
SMILES:   O=C(N)C(NC(=O)C)C(C)C
InChI:   InChI=1/C7H14N2O2/c1-4(2)6(7(8)11)9-5(3)10/h4,6H,1-3H3,(H2,8,11)(H,9,10)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=24.4204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.201 g/mol  logS: -0.77978  SlogP: -0.3676  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.263527  Sterimol/B1: 2.2403  Sterimol/B2: 2.54981  Sterimol/B3: 4.28289
  Sterimol/B4: 6.53188  Sterimol/L: 9.57552 
 
 Surface and Volume Properties
  Accessible surface: 361.579  Positive charged surface: 236.326  Negative charged surface: 125.253  Volume: 161
  Hydrophobic surface: 191.564  Hydrophilic surface: 170.015
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.