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CHEMDIV-ZINC04687027

 MMsINC code: MMs00942141
Type: Neutral
Formula: C17H30N2O2
SMILES:   O=C1N(CC(C1)C(=O)NCCC(C)C)C1CCCCCC1
InChI:   InChI=1/C17H30N2O2/c1-13(2)9-10-18-17(21)14-11-16(20)19(12-14)15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3,(H,18,21)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=32.2683 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.439 g/mol  logS: -3.16271  SlogP: 2.72  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0525644  Sterimol/B1: 3.69016  Sterimol/B2: 3.74292  Sterimol/B3: 4.26194
  Sterimol/B4: 5.10313  Sterimol/L: 17.6472 
 
 Surface and Volume Properties
  Accessible surface: 575.086  Positive charged surface: 441.642  Negative charged surface: 133.445  Volume: 312.75
  Hydrophobic surface: 473.606  Hydrophilic surface: 101.48
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.