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ASINEX-ZINC00133418

 MMsINC code: MMs00080648
Type: Neutral
Formula: C20H35NO3
SMILES:   OC(=O)C1CCCCC1C(=O)NC1CCCCCCCCCCC1
InChI:   InChI=1/C20H35NO3/c22-19(17-14-10-11-15-18(17)20(23)24)21-16-12-8-6-4-2-1-3-5-7-9-13-16/h16-18H,1-15H2,(H,21,22)(H,23,24)/t17-,18-/m1/s1

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Potential Energy
Epot(MMFF94)=116.759 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.504 g/mol  logS: -5.41719  SlogP: 4.6669  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.287001  Sterimol/B1: 3.23207  Sterimol/B2: 3.31919  Sterimol/B3: 6.60308
  Sterimol/B4: 6.72595  Sterimol/L: 12.6337 
 
 Surface and Volume Properties
  Accessible surface: 567.286  Positive charged surface: 424.849  Negative charged surface: 142.437  Volume: 354
  Hydrophobic surface: 474.892  Hydrophilic surface: 92.394
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00080649
ASINEX-ZINC00133418