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IBS-ZINC00545640

 MMsINC code: MMs01752323
Type: Neutral
Formula: C7H12N2O3
SMILES:   O=C1N(CCO)C(=O)NC1(C)C
InChI:   InChI=1/C7H12N2O3/c1-7(2)5(11)9(3-4-10)6(12)8-7/h10H,3-4H2,1-2H3,(H,8,12)

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Potential Energy
Epot(MMFF94)=5.04508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.184 g/mol  logS: -0.48637  SlogP: -0.6909  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.223071  Sterimol/B1: 2.4323  Sterimol/B2: 3.60569  Sterimol/B3: 4.19726
  Sterimol/B4: 4.56995  Sterimol/L: 10.3873 
 
 Surface and Volume Properties
  Accessible surface: 357.054  Positive charged surface: 253.297  Negative charged surface: 103.757  Volume: 158.625
  Hydrophobic surface: 184.297  Hydrophilic surface: 172.757
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.