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PUBCHEM-ZINC06294603

 MMsINC code: MMs03662984
Type: Neutral
Formula: C14H24N4O3
SMILES:   O(C(=O)C(NC(=O)NCCCn1ccnc1)C(CC)C)C
InChI:   InChI=1/C14H24N4O3/c1-4-11(2)12(13(19)21-3)17-14(20)16-6-5-8-18-9-7-15-10-18/h7,9-12H,4-6,8H2,1-3H3,(H2,16,17,20)/t11-,12+/m0/s1

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Potential Energy
Epot(MMFF94)=23.4004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.371 g/mol  logS: -1.75281  SlogP: 1.4265  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.069875  Sterimol/B1: 2.17105  Sterimol/B2: 2.36421  Sterimol/B3: 5.33172
  Sterimol/B4: 7.68324  Sterimol/L: 17.8184 
 
 Surface and Volume Properties
  Accessible surface: 578.061  Positive charged surface: 460.154  Negative charged surface: 117.907  Volume: 294.75
  Hydrophobic surface: 431.156  Hydrophilic surface: 146.905
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.