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NCID-ZINC05368428

 MMsINC code: MMs02454785
Type: Neutral
Formula: C15H18N2O4
SMILES:   O=C1N(C2CCC(=O)NC2=O)C(=O)C2C3CC(CC3)C12C
InChI:   InChI=1/C15H18N2O4/c1-15-8-3-2-7(6-8)11(15)13(20)17(14(15)21)9-4-5-10(18)16-12(9)19/h7-9,11H,2-6H2,1H3,(H,16,18,19)/t7-,8+,9+,11+,15+/m0/s1

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Potential Energy
Epot(MMFF94)=60.7312 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.319 g/mol  logS: -2.69641  SlogP: 0.2128  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143973  Sterimol/B1: 2.17359  Sterimol/B2: 3.72034  Sterimol/B3: 3.80658
  Sterimol/B4: 6.77304  Sterimol/L: 12.955 
 
 Surface and Volume Properties
  Accessible surface: 452.501  Positive charged surface: 290.952  Negative charged surface: 161.549  Volume: 259.75
  Hydrophobic surface: 285.135  Hydrophilic surface: 167.366
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.