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NCID-ZINC01730019

 MMsINC code: MMs02353074
Type: Neutral
Formula: C14H24N4O3
SMILES:   O=C1NC(=O)NC(=C1)C(=O)NC(CCCN(CC)CC)C
InChI:   InChI=1/C14H24N4O3/c1-4-18(5-2)8-6-7-10(3)15-13(20)11-9-12(19)17-14(21)16-11/h9-10H,4-8H2,1-3H3,(H,15,20)(H2,16,17,19,21)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=-6.60905 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.371 g/mol  logS: -2.16748  SlogP: 0.3364  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153472  Sterimol/B1: 2.4914  Sterimol/B2: 3.20286  Sterimol/B3: 6.22527
  Sterimol/B4: 7.36262  Sterimol/L: 14.5756 
 
 Surface and Volume Properties
  Accessible surface: 576.376  Positive charged surface: 389.14  Negative charged surface: 187.237  Volume: 292.375
  Hydrophobic surface: 326.695  Hydrophilic surface: 249.681
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02353075
NCID-ZINC01730019