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NCID-ZINC05492639

 MMsINC code: MMs02466099
Type: Neutral
Formula: C18H35NO3
SMILES:   OC(=O)CNC(=O)CCCCCCCCCCCCC(C)C
InChI:   InChI=1/C18H35NO3/c1-16(2)13-11-9-7-5-3-4-6-8-10-12-14-17(20)19-15-18(21)22/h16H,3-15H2,1-2H3,(H,19,20)(H,21,22)

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Potential Energy
Epot(MMFF94)=14.9891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.482 g/mol  logS: -6.66594  SlogP: 4.5244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0111821  Sterimol/B1: 2.12882  Sterimol/B2: 2.48452  Sterimol/B3: 3.52528
  Sterimol/B4: 4.54595  Sterimol/L: 26.7706 
 
 Surface and Volume Properties
  Accessible surface: 706.598  Positive charged surface: 558.628  Negative charged surface: 147.969  Volume: 349.875
  Hydrophobic surface: 507.257  Hydrophilic surface: 199.341
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02466100
NCID-ZINC05492639