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ANALYTICONDISCOVERY-ZINC08300189

 MMsINC code: MMs00041513
Type: Neutral
Formula: C15H27N3O3
SMILES:   O=C(N1CC(CC)C(CC1)CC(=O)NCCNC(=O)C)C
InChI:   InChI=1/C15H27N3O3/c1-4-13-10-18(12(3)20)8-5-14(13)9-15(21)17-7-6-16-11(2)19/h13-14H,4-10H2,1-3H3,(H,16,19)(H,17,21)/t13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=54.6981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.399 g/mol  logS: -1.2446  SlogP: 0.5234  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0426394  Sterimol/B1: 2.3537  Sterimol/B2: 2.75643  Sterimol/B3: 4.54637
  Sterimol/B4: 7.0846  Sterimol/L: 18.3784 
 
 Surface and Volume Properties
  Accessible surface: 574.34  Positive charged surface: 417.759  Negative charged surface: 156.582  Volume: 301
  Hydrophobic surface: 422.111  Hydrophilic surface: 152.229
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.