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ENAMINE-ZINC02649903

 MMsINC code: MMs01274659
Type: Neutral
Formula: C10H18N4O3
SMILES:   O=C1NC(=O)N(CCC)C(N)=C1NCCOC
InChI:   InChI=1/C10H18N4O3/c1-3-5-14-8(11)7(12-4-6-17-2)9(15)13-10(14)16/h12H,3-6,11H2,1-2H3,(H,13,15,16)

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Potential Energy
Epot(MMFF94)=33.2417 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.279 g/mol  logS: -0.85729  SlogP: -0.688  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0418212  Sterimol/B1: 2.41574  Sterimol/B2: 2.51231  Sterimol/B3: 3.33811
  Sterimol/B4: 6.37416  Sterimol/L: 15.0673 
 
 Surface and Volume Properties
  Accessible surface: 469.217  Positive charged surface: 373.14  Negative charged surface: 96.0764  Volume: 227.125
  Hydrophobic surface: 282.434  Hydrophilic surface: 186.783
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.