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ENAMINE-ZINC03297532

 MMsINC code: MMs01356770
Type: Neutral
Formula: C10H17N3O3
SMILES:   O=C1N(CC(=O)NC)C(=O)NC1CC(C)C
InChI:   InChI=1/C10H17N3O3/c1-6(2)4-7-9(15)13(10(16)12-7)5-8(14)11-3/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,16)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=4.3656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.264 g/mol  logS: -1.76648  SlogP: -0.3011  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.070457  Sterimol/B1: 2.04631  Sterimol/B2: 3.74545  Sterimol/B3: 3.88706
  Sterimol/B4: 4.9747  Sterimol/L: 15.2447 
 
 Surface and Volume Properties
  Accessible surface: 455.677  Positive charged surface: 326.775  Negative charged surface: 128.902  Volume: 217.625
  Hydrophobic surface: 259.738  Hydrophilic surface: 195.939
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.