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NCID-ZINC01733544

 MMsINC code: MMs02355973
Type: Neutral
Formula: C11H23NO
SMILES:   O=C(N(C(C)C)C(C)C)CCCC
InChI:   InChI=1/C11H23NO/c1-6-7-8-11(13)12(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.6256 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.311 g/mol  logS: -2.20553  SlogP: 2.822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150601  Sterimol/B1: 3.63108  Sterimol/B2: 3.64397  Sterimol/B3: 3.69515
  Sterimol/B4: 4.71118  Sterimol/L: 12.1325 
 
 Surface and Volume Properties
  Accessible surface: 437.636  Positive charged surface: 322.01  Negative charged surface: 115.625  Volume: 219.875
  Hydrophobic surface: 327.841  Hydrophilic surface: 109.795
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.