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CHEMBLOCK-ZINC04412477

 MMsINC code: MMs00550769
Type: Neutral
Formula: C6H10N2O3
SMILES:   O=C1NC(CC1)C(=O)NCO
InChI:   InChI=1/C6H10N2O3/c9-3-7-6(11)4-1-2-5(10)8-4/h4,9H,1-3H2,(H,7,11)(H,8,10)/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=7.0546 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.157 g/mol  logS: 0.32883  SlogP: -1.669  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0779035  Sterimol/B1: 2.39792  Sterimol/B2: 2.61055  Sterimol/B3: 3.23992
  Sterimol/B4: 4.58144  Sterimol/L: 11.4329 
 
 Surface and Volume Properties
  Accessible surface: 343.838  Positive charged surface: 238.159  Negative charged surface: 105.679  Volume: 140.625
  Hydrophobic surface: 147.379  Hydrophilic surface: 196.459
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.