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CHEMBLOCK-ZINC04185309

 MMsINC code: MMs00545824
Type: Neutral
Formula: C14H20FN3O2
SMILES:   Fc1cc([N+](=O)[O-])c(N2CCCC2)cc1N(CC)CC
InChI:   InChI=1/C14H20FN3O2/c1-3-16(4-2)12-10-13(17-7-5-6-8-17)14(18(19)20)9-11(12)15/h9-10H,3-8H2,1-2H3

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Potential Energy
Epot(MMFF94)=177.269 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.331 g/mol  logS: -3.53171  SlogP: 3.1803  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.238798  Sterimol/B1: 2.44565  Sterimol/B2: 4.76916  Sterimol/B3: 5.49914
  Sterimol/B4: 5.95129  Sterimol/L: 12.0601 
 
 Surface and Volume Properties
  Accessible surface: 491.701  Positive charged surface: 320.061  Negative charged surface: 171.64  Volume: 267.375
  Hydrophobic surface: 354.42  Hydrophilic surface: 137.281
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.