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NCID-ZINC01765740

 MMsINC code: MMs02369599
Type: Ionized
Formula: C11H26NO+
SMILES:   OCC(C[NH+](CCC)CCC)(C)C
InChI:   InChI=1/C11H25NO/c1-5-7-12(8-6-2)9-11(3,4)10-13/h13H,5-10H2,1-4H3/p+1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.8108 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.335 g/mol  logS: -0.92477  SlogP: 0.7098  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184944  Sterimol/B1: 2.34871  Sterimol/B2: 3.23813  Sterimol/B3: 3.39679
  Sterimol/B4: 8.91223  Sterimol/L: 11.0357 
 
 Surface and Volume Properties
  Accessible surface: 442.365  Positive charged surface: 347.058  Negative charged surface: 95.3072  Volume: 231
  Hydrophobic surface: 325.182  Hydrophilic surface: 117.183
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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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Parent related molecule:


MMs02369598
NCID-ZINC01765740