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COMGENEX-ZINC06777197

 MMsINC code: MMs01209521
Type: Neutral
Formula: C19H30N2O4
SMILES:   O1CCCC1CNC(=O)C1N(C(=O)C2CC2)C2(OC1)CC(CCC2)C
InChI:   InChI=1/C19H30N2O4/c1-13-4-2-8-19(10-13)21(18(23)14-6-7-14)16(12-25-19)17(22)20-11-15-5-3-9-24-15/h13-16H,2-12H2,1H3,(H,20,22)/t13-,15+,16+,19-/m1/s1

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Potential Energy
Epot(MMFF94)=77.8852 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.459 g/mol  logS: -3.16737  SlogP: 1.8254  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0888822  Sterimol/B1: 2.27147  Sterimol/B2: 3.43535  Sterimol/B3: 6.26274
  Sterimol/B4: 7.12267  Sterimol/L: 17.1459 
 
 Surface and Volume Properties
  Accessible surface: 612.352  Positive charged surface: 474.173  Negative charged surface: 138.18  Volume: 347
  Hydrophobic surface: 505.336  Hydrophilic surface: 107.016
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.