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ENAMINE-ZINC03563810

 MMsINC code: MMs01510316
Type: Neutral
Formula: C16H27N3O3
SMILES:   O=C1N(CC(=O)NC(CC)CC)C(=O)NC12CCCCC2C
InChI:   InChI=1/C16H27N3O3/c1-4-12(5-2)17-13(20)10-19-14(21)16(18-15(19)22)9-7-6-8-11(16)3/h11-12H,4-10H2,1-3H3,(H,17,20)(H,18,22)/t11-,16-/m0/s1

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Potential Energy
Epot(MMFF94)=29.7179 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.41 g/mol  logS: -2.93793  SlogP: 1.7919  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13189  Sterimol/B1: 2.49749  Sterimol/B2: 3.71642  Sterimol/B3: 4.69643
  Sterimol/B4: 7.04586  Sterimol/L: 14.2787 
 
 Surface and Volume Properties
  Accessible surface: 542.401  Positive charged surface: 403.823  Negative charged surface: 138.578  Volume: 306.375
  Hydrophobic surface: 394.877  Hydrophilic surface: 147.524
 
 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.