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ENAMINE-ZINC03222756

 MMsINC code: MMs01314398
Type: Neutral
Formula: C13H24N4O2
SMILES:   O=C1NC(=O)N(CCCC)C(N)=C1NCCC(C)C
InChI:   InChI=1/C13H24N4O2/c1-4-5-8-17-11(14)10(12(18)16-13(17)19)15-7-6-9(2)3/h9,15H,4-8,14H2,1-3H3,(H,16,18,19)

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Potential Energy
Epot(MMFF94)=25.1479 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.361 g/mol  logS: -2.78929  SlogP: 1.1018  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0409057  Sterimol/B1: 2.27627  Sterimol/B2: 2.47102  Sterimol/B3: 4.1941
  Sterimol/B4: 6.18672  Sterimol/L: 17.2595 
 
 Surface and Volume Properties
  Accessible surface: 530.127  Positive charged surface: 394.739  Negative charged surface: 135.388  Volume: 273.375
  Hydrophobic surface: 309.421  Hydrophilic surface: 220.706
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.