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NCID-ZINC05119283

 MMsINC code: MMs02442788
Type: Neutral
Formula: C11H20FN3O2
SMILES:   FCCN(N=O)C(=O)NC1CCC(CC1)CC
InChI:   InChI=1/C11H20FN3O2/c1-2-9-3-5-10(6-4-9)13-11(16)15(14-17)8-7-12/h9-10H,2-8H2,1H3,(H,13,16)/t9-,10+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.298 g/mol  logS: -2.86295  SlogP: 2.6177  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.144322  Sterimol/B1: 2.27303  Sterimol/B2: 3.53638  Sterimol/B3: 4.48802
  Sterimol/B4: 6.34106  Sterimol/L: 13.511 
 
 Surface and Volume Properties
  Accessible surface: 462.681  Positive charged surface: 301.599  Negative charged surface: 161.082  Volume: 234.625
  Hydrophobic surface: 375.324  Hydrophilic surface: 87.357
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.