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PUBCHEM-ZINC02011487

 MMsINC code: MMs02849528
Type: Neutral
Formula: C11H21N5O
SMILES:   O(C)c1nc(nc(n1)NCCCC)NC(C)C
InChI:   InChI=1/C11H21N5O/c1-5-6-7-12-9-14-10(13-8(2)3)16-11(15-9)17-4/h8H,5-7H2,1-4H3,(H2,12,13,14,15,16)

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Potential Energy
Epot(MMFF94)=-59.4672 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.323 g/mol  logS: -3.59734  SlogP: 1.9125  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.035512  Sterimol/B1: 2.70625  Sterimol/B2: 3.23323  Sterimol/B3: 3.37917
  Sterimol/B4: 7.39259  Sterimol/L: 16.8132 
 
 Surface and Volume Properties
  Accessible surface: 522.165  Positive charged surface: 421.04  Negative charged surface: 101.125  Volume: 249.25
  Hydrophobic surface: 351.331  Hydrophilic surface: 170.834
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.