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CHEMBLOCK-ZINC03094978

 MMsINC code: MMs00536276
Type: Neutral
Formula: C16H30N2O3
SMILES:   O(C(C)(C)C)C(=O)N1CCCC1C(=O)NCCCCCC
InChI:   InChI=1/C16H30N2O3/c1-5-6-7-8-11-17-14(19)13-10-9-12-18(13)15(20)21-16(2,3)4/h13H,5-12H2,1-4H3,(H,17,19)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=36.4929 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.427 g/mol  logS: -3.51516  SlogP: 3.0824  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0417335  Sterimol/B1: 3.1959  Sterimol/B2: 3.57202  Sterimol/B3: 4.14389
  Sterimol/B4: 6.97535  Sterimol/L: 18.8632 
 
 Surface and Volume Properties
  Accessible surface: 621.565  Positive charged surface: 483.638  Negative charged surface: 137.927  Volume: 319
  Hydrophobic surface: 502.054  Hydrophilic surface: 119.511
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.