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NCID-ZINC01643510

 MMsINC code: MMs02284945
Type: Neutral
Formula: C11H19N3O4
SMILES:   OC(=O)CC(N)C(=O)NC(NC(=O)C1CCC1)C
InChI:   InChI=1/C11H19N3O4/c1-6(13-10(17)7-3-2-4-7)14-11(18)8(12)5-9(15)16/h6-8H,2-5,12H2,1H3,(H,13,17)(H,14,18)(H,15,16)/t6-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=16.2983 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.29 g/mol  logS: -0.53682  SlogP: -0.8331  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14276  Sterimol/B1: 2.10331  Sterimol/B2: 2.56368  Sterimol/B3: 4.29571
  Sterimol/B4: 8.24742  Sterimol/L: 13.3729 
 
 Surface and Volume Properties
  Accessible surface: 491.18  Positive charged surface: 225.315  Negative charged surface: 109.486  Volume: 243.375
  Hydrophobic surface: 258.557  Hydrophilic surface: 232.623
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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.