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PUBCHEM-ZINC05762137

 MMsINC code: MMs03375477
Type: Neutral
Formula: C21H42N2O3
SMILES:   OC(=O)CCCCCCCCCCN(C)C1CC(N(O)C(C1)(C)C)(C)C
InChI:   InChI=1/C21H42N2O3/c1-20(2)16-18(17-21(3,4)23(20)26)22(5)15-13-11-9-7-6-8-10-12-14-19(24)25/h18,26H,6-17H2,1-5H3,(H,24,25)

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Potential Energy
Epot(MMFF94)=53.808 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.578 g/mol  logS: -3.97915  SlogP: 4.9245  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0252758  Sterimol/B1: 2.11411  Sterimol/B2: 3.71216  Sterimol/B3: 4.9532
  Sterimol/B4: 5.86914  Sterimol/L: 24.1545 
 
 Surface and Volume Properties
  Accessible surface: 728.642  Positive charged surface: 571.23  Negative charged surface: 157.412  Volume: 408
  Hydrophobic surface: 534.876  Hydrophilic surface: 193.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.