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NCID-ZINC06041189

 MMsINC code: MMs02519394
Type: Neutral
Formula: C12H21N3O3
SMILES:   O=C1NC(CC(=O)NC(CC(=O)NC(C1)C)C)C
InChI:   InChI=1/C12H21N3O3/c1-7-4-10(16)14-9(3)6-12(18)15-8(2)5-11(17)13-7/h7-9H,4-6H2,1-3H3,(H,13,17)(H,14,16)(H,15,18)/t7-,8-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=29.1273 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.318 g/mol  logS: -0.88448  SlogP: -0.3156  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140461  Sterimol/B1: 2.58966  Sterimol/B2: 3.50803  Sterimol/B3: 4.98301
  Sterimol/B4: 6.92136  Sterimol/L: 11.2965 
 
 Surface and Volume Properties
  Accessible surface: 455.256  Positive charged surface: 329.686  Negative charged surface: 125.57  Volume: 251.875
  Hydrophobic surface: 288.452  Hydrophilic surface: 166.804
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.