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PUBCHEM-ZINC02611584

 MMsINC code: MMs02907041
Type: Neutral
Formula: C14H23N5O4
SMILES:   O=C1NC(=O)N(CCOC)C(NC(=O)CN2CCN(CC2)C)=C1
InChI:   InChI=1/C14H23N5O4/c1-17-3-5-18(6-4-17)10-13(21)15-11-9-12(20)16-14(22)19(11)7-8-23-2/h9H,3-8,10H2,1-2H3,(H,15,21)(H,16,20,22)

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Potential Energy
Epot(MMFF94)=72.101 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.369 g/mol  logS: -0.92165  SlogP: -1.6104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0949993  Sterimol/B1: 2.66214  Sterimol/B2: 4.57163  Sterimol/B3: 5.1478
  Sterimol/B4: 6.39139  Sterimol/L: 16.8434 
 
 Surface and Volume Properties
  Accessible surface: 570.912  Positive charged surface: 473.481  Negative charged surface: 97.4311  Volume: 303.75
  Hydrophobic surface: 416.325  Hydrophilic surface: 154.587
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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


MMs02907042
PUBCHEM-ZINC02611584