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ASINEX-ZINC03876654

 MMsINC code: MMs00291001
Type: Neutral
Formula: C17H32N4O5
SMILES:   O=C1N(CC(OC)=O)C(C)(C)C(N(O)C(=O)NCCCC)N1CCCC
InChI:   InChI=1/C17H32N4O5/c1-6-8-10-18-15(23)21(25)14-17(3,4)20(12-13(22)26-5)16(24)19(14)11-9-7-2/h14,25H,6-12H2,1-5H3,(H,18,23)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=63.2347 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.466 g/mol  logS: -2.39009  SlogP: 2.0027  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.178671  Sterimol/B1: 3.10227  Sterimol/B2: 3.95584  Sterimol/B3: 5.16132
  Sterimol/B4: 10.3084  Sterimol/L: 16.7252 
 
 Surface and Volume Properties
  Accessible surface: 674.202  Positive charged surface: 521.669  Negative charged surface: 152.533  Volume: 368.875
  Hydrophobic surface: 486.727  Hydrophilic surface: 187.475
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.