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NCID-ZINC04632979

 MMsINC code: MMs02392298
Type: Neutral
Formula: C10H15N5O2
SMILES:   O=C1NC(=NC(NC2CCCC2)=C1NC=O)N
InChI:   InChI=1/C10H15N5O2/c11-10-14-8(13-6-3-1-2-4-6)7(12-5-16)9(17)15-10/h5-6H,1-4H2,(H,12,16)(H4,11,13,14,15,17)

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Potential Energy
Epot(MMFF94)=17.7986 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.263 g/mol  logS: -1.82583  SlogP: -1.1218  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0816016  Sterimol/B1: 2.68721  Sterimol/B2: 4.07536  Sterimol/B3: 4.45055
  Sterimol/B4: 6.29531  Sterimol/L: 12.1844 
 
 Surface and Volume Properties
  Accessible surface: 452.38  Positive charged surface: 343.897  Negative charged surface: 108.483  Volume: 217.125
  Hydrophobic surface: 217.718  Hydrophilic surface: 234.662
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.