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CHEMBLOCK-ZINC04726522

 MMsINC code: MMs00574123
Type: Neutral
Formula: C18H29N3O3
SMILES:   O=C1N(CC)C(=O)CC1N1CCC(CC1)C(=O)N1CCC(CC1)C
InChI:   InChI=1/C18H29N3O3/c1-3-21-16(22)12-15(18(21)24)19-10-6-14(7-11-19)17(23)20-8-4-13(2)5-9-20/h13-15H,3-12H2,1-2H3/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=31.9781 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.448 g/mol  logS: -1.9451  SlogP: 1.1043  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0692255  Sterimol/B1: 2.17726  Sterimol/B2: 3.20005  Sterimol/B3: 4.52296
  Sterimol/B4: 6.38961  Sterimol/L: 17.7239 
 
 Surface and Volume Properties
  Accessible surface: 584.311  Positive charged surface: 436.25  Negative charged surface: 148.061  Volume: 334.5
  Hydrophobic surface: 453.126  Hydrophilic surface: 131.185
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00574124
CHEMBLOCK-ZINC04726522