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PUBCHEM-ZINC01635347

 MMsINC code: MMs02817133
Type: Neutral
Formula: C11H17N5O2
SMILES:   O=C(Nc1nc(NC(=O)NCC)ccc1)NCC
InChI:   InChI=1/C11H17N5O2/c1-3-12-10(17)15-8-6-5-7-9(14-8)16-11(18)13-4-2/h5-7H,3-4H2,1-2H3,(H4,12,13,14,15,16,17,18)

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Potential Energy
Epot(MMFF94)=-9.77265 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.29 g/mol  logS: -1.4903  SlogP: 1.3644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0172609  Sterimol/B1: 2.41934  Sterimol/B2: 2.57087  Sterimol/B3: 2.57594
  Sterimol/B4: 9.40171  Sterimol/L: 13.8729 
 
 Surface and Volume Properties
  Accessible surface: 512.138  Positive charged surface: 385.148  Negative charged surface: 126.99  Volume: 240.625
  Hydrophobic surface: 323.519  Hydrophilic surface: 188.619
 
 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.