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ENAMINE-ZINC06653546

 MMsINC code: MMs01693764
Type: Neutral
Formula: C15H20N4O2
SMILES:   O=C(Nc1nc2c(n1CCC)cccc2)CCNC(=O)C
InChI:   InChI=1/C15H20N4O2/c1-3-10-19-13-7-5-4-6-12(13)17-15(19)18-14(21)8-9-16-11(2)20/h4-7H,3,8-10H2,1-2H3,(H,16,20)(H,17,18,21)

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Potential Energy
Epot(MMFF94)=24.0814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.351 g/mol  logS: -3.09325  SlogP: 2.1774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0210853  Sterimol/B1: 2.033  Sterimol/B2: 2.42069  Sterimol/B3: 3.07945
  Sterimol/B4: 9.43734  Sterimol/L: 17.6317 
 
 Surface and Volume Properties
  Accessible surface: 570.24  Positive charged surface: 378.079  Negative charged surface: 192.161  Volume: 282.375
  Hydrophobic surface: 424.94  Hydrophilic surface: 145.3
 
 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.