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PUBCHEM-ZINC00974268

 MMsINC code: MMs02747214
Type: Neutral
Formula: C18H17ClF5N3O2
SMILES:   ClC(F)(F)Oc1ccc(N(C(=O)Cn2nc(c3CCCCc23)C(F)(F)F)C)cc1
InChI:   InChI=1/C18H17ClF5N3O2/c1-26(11-6-8-12(9-7-11)29-18(19,23)24)15(28)10-27-14-5-3-2-4-13(14)16(25-27)17(20,21)22/h6-9H,2-5,10H2,1H3

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Potential Energy
Epot(MMFF94)=115.785 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 437.796 g/mol  logS: -5.53457  SlogP: 5.60934  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147714  Sterimol/B1: 2.35085  Sterimol/B2: 2.47616  Sterimol/B3: 7.22377
  Sterimol/B4: 7.23873  Sterimol/L: 17.2877 
 
 Surface and Volume Properties
  Accessible surface: 643.475  Positive charged surface: 305.537  Negative charged surface: 337.939  Volume: 344.375
  Hydrophobic surface: 365.712  Hydrophilic surface: 277.763
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.