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NCID-ZINC01578794

 MMsINC code: MMs02236739
Type: Neutral
Formula: C12H24N4O2
SMILES:   O=C(NCC1CCC(CC1)CNC(=O)NC)NC
InChI:   InChI=1/C12H24N4O2/c1-13-11(17)15-7-9-3-5-10(6-4-9)8-16-12(18)14-2/h9-10H,3-8H2,1-2H3,(H2,13,15,17)(H2,14,16,18)/t9-,10-

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Potential Energy
Epot(MMFF94)=-41.7128 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.35 g/mol  logS: -0.7267  SlogP: 0.6508  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0315861  Sterimol/B1: 2.36719  Sterimol/B2: 2.87067  Sterimol/B3: 2.93774
  Sterimol/B4: 6.21746  Sterimol/L: 18.1243 
 
 Surface and Volume Properties
  Accessible surface: 534.922  Positive charged surface: 458.78  Negative charged surface: 76.1419  Volume: 262.375
  Hydrophobic surface: 390.614  Hydrophilic surface: 144.308
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  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.