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NCID-ZINC01720468

 MMsINC code: MMs02345480
Type: Neutral
Formula: C9H14N2O3
SMILES:   OC1(N(C)C(=O)C2N(CCC2)C1=O)C
InChI:   InChI=1/C9H14N2O3/c1-9(14)8(13)11-5-3-4-6(11)7(12)10(9)2/h6,14H,3-5H2,1-2H3/t6-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=75.6407 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.222 g/mol  logS: -0.60555  SlogP: -0.8421  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13591  Sterimol/B1: 2.5496  Sterimol/B2: 3.13431  Sterimol/B3: 3.96239
  Sterimol/B4: 5.45367  Sterimol/L: 10.5347 
 
 Surface and Volume Properties
  Accessible surface: 375.291  Positive charged surface: 278.446  Negative charged surface: 96.8453  Volume: 183
  Hydrophobic surface: 257.226  Hydrophilic surface: 118.065
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.