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NCID-ZINC01696304

 MMsINC code: MMs02327078
Type: Neutral
Formula: C10H18N4O2
SMILES:   O=C1N(C)C(=O)N(C)C(N)=C1NCCCC
InChI:   InChI=1/C10H18N4O2/c1-4-5-6-12-7-8(11)13(2)10(16)14(3)9(7)15/h12H,4-6,11H2,1-3H3

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Potential Energy
Epot(MMFF94)=27.6402 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.28 g/mol  logS: -1.12388  SlogP: 0.0277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0244788  Sterimol/B1: 2.37616  Sterimol/B2: 2.51389  Sterimol/B3: 4.23868
  Sterimol/B4: 5.14243  Sterimol/L: 14.3444 
 
 Surface and Volume Properties
  Accessible surface: 452.35  Positive charged surface: 372.941  Negative charged surface: 79.4092  Volume: 219.75
  Hydrophobic surface: 306.056  Hydrophilic surface: 146.294
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.