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CHEMDIV-ZINC06847212

 MMsINC code: MMs01047249
Type: Neutral
Formula: C18H30N4O3
SMILES:   O=C1N(CC(=O)N2C1CCC2)CC(=O)NCCCN1CCCCCC1
InChI:   InChI=1/C18H30N4O3/c23-16(19-8-6-11-20-9-3-1-2-4-10-20)13-21-14-17(24)22-12-5-7-15(22)18(21)25/h15H,1-14H2,(H,19,23)/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=99.5393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.463 g/mol  logS: -1.65307  SlogP: 0.2019  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0338226  Sterimol/B1: 2.20093  Sterimol/B2: 3.4738  Sterimol/B3: 4.83853
  Sterimol/B4: 4.84255  Sterimol/L: 20.2687 
 
 Surface and Volume Properties
  Accessible surface: 643.031  Positive charged surface: 517.249  Negative charged surface: 125.782  Volume: 346.25
  Hydrophobic surface: 517.866  Hydrophilic surface: 125.165
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs01047250
CHEMDIV-ZINC06847212