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ASINEX-ZINC04833717

 MMsINC code: MMs00376125
Type: Neutral
Formula: C18H34N4O2
SMILES:   O=C(NC1CCCCC1)NCCCCNC(=O)NC1CCCCC1
InChI:   InChI=1/C18H34N4O2/c23-17(21-15-9-3-1-4-10-15)19-13-7-8-14-20-18(24)22-16-11-5-2-6-12-16/h15-16H,1-14H2,(H2,19,21,23)(H2,20,22,24)

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Potential Energy
Epot(MMFF94)=-40.2158 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.496 g/mol  logS: -2.96394  SlogP: 3.0304  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0148352  Sterimol/B1: 2.83085  Sterimol/B2: 3.33288  Sterimol/B3: 3.51321
  Sterimol/B4: 4.08422  Sterimol/L: 24.0722 
 
 Surface and Volume Properties
  Accessible surface: 686.859  Positive charged surface: 558.92  Negative charged surface: 127.939  Volume: 355.125
  Hydrophobic surface: 556.902  Hydrophilic surface: 129.957
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.