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ASINEX-ZINC00778837

 MMsINC code: MMs00158334
Type: Neutral
Formula: C20H37N5O2
SMILES:   O=C(NC1CCCCC1)N1CCN(CC1)CCNC(=O)NC1CCCCC1
InChI:   InChI=1/C20H37N5O2/c26-19(22-17-7-3-1-4-8-17)21-11-12-24-13-15-25(16-14-24)20(27)23-18-9-5-2-6-10-18/h17-18H,1-16H2,(H,23,27)(H2,21,22,26)

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Potential Energy
Epot(MMFF94)=8.73727 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.549 g/mol  logS: -2.50114  SlogP: 2.2782  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0209033  Sterimol/B1: 3.20091  Sterimol/B2: 3.21338  Sterimol/B3: 3.38402
  Sterimol/B4: 6.95477  Sterimol/L: 22.8553 
 
 Surface and Volume Properties
  Accessible surface: 716.97  Positive charged surface: 598.415  Negative charged surface: 118.555  Volume: 393.5
  Hydrophobic surface: 618.598  Hydrophilic surface: 98.372
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00158335
ASINEX-ZINC00778837