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CHEMDIV-ZINC06942103

 MMsINC code: MMs01066480
Type: Neutral
Formula: C15H26N2O3
SMILES:   O=C1N(C(CC1)C(=O)NCCCOC)C1CCCCC1
InChI:   InChI=1/C15H26N2O3/c1-20-11-5-10-16-15(19)13-8-9-14(18)17(13)12-6-3-2-4-7-12/h12-13H,2-11H2,1H3,(H,16,19)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=36.8269 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.384 g/mol  logS: -1.87777  SlogP: 1.4628  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0571236  Sterimol/B1: 3.25213  Sterimol/B2: 3.33497  Sterimol/B3: 3.38121
  Sterimol/B4: 6.58254  Sterimol/L: 17.4056 
 
 Surface and Volume Properties
  Accessible surface: 555.467  Positive charged surface: 453.848  Negative charged surface: 101.619  Volume: 290.5
  Hydrophobic surface: 492.278  Hydrophilic surface: 63.189
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.