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NCID-ZINC04934677

 MMsINC code: MMs02417305
Type: Neutral
Formula: C14H30N4O2
SMILES:   O=C(NCCCCCCCCCCNC(=O)CN)CN
InChI:   InChI=1/C14H30N4O2/c15-11-13(19)17-9-7-5-3-1-2-4-6-8-10-18-14(20)12-16/h1-12,15-16H2,(H,17,19)(H,18,20)

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Potential Energy
Epot(MMFF94)=39.1038 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.42 g/mol  logS: -2.18636  SlogP: 0.257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0097882  Sterimol/B1: 2.46253  Sterimol/B2: 2.53429  Sterimol/B3: 2.80105
  Sterimol/B4: 3.70436  Sterimol/L: 25.2467 
 
 Surface and Volume Properties
  Accessible surface: 650.805  Positive charged surface: 540.919  Negative charged surface: 109.886  Volume: 310.125
  Hydrophobic surface: 412.385  Hydrophilic surface: 238.42
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02417306
NCID-ZINC04934677