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NCID-ZINC01580486

 MMsINC code: MMs02238079
Type: Neutral
Formula: C11H19N3O3
SMILES:   O=C1N(CCC)C(=O)CC1NC(=O)NCCC
InChI:   InChI=1/C11H19N3O3/c1-3-5-12-11(17)13-8-7-9(15)14(6-4-2)10(8)16/h8H,3-7H2,1-2H3,(H2,12,13,17)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=-21.8346 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.291 g/mol  logS: -1.14694  SlogP: 0.2331  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0413406  Sterimol/B1: 3.03741  Sterimol/B2: 3.06222  Sterimol/B3: 3.29239
  Sterimol/B4: 5.51911  Sterimol/L: 16.6982 
 
 Surface and Volume Properties
  Accessible surface: 498.23  Positive charged surface: 354.734  Negative charged surface: 143.495  Volume: 236.625
  Hydrophobic surface: 318.985  Hydrophilic surface: 179.245
 
 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.