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COMGENEX-ZINC06689639

 MMsINC code: MMs01184789
Type: Neutral
Formula: C19H26F2N4O
SMILES:   Fc1cc(ccc1F)Cn1ccnc1CN(CC(C)C)C(=O)NC(C)C
InChI:   InChI=1/C19H26F2N4O/c1-13(2)10-25(19(26)23-14(3)4)12-18-22-7-8-24(18)11-15-5-6-16(20)17(21)9-15/h5-9,13-14H,10-12H2,1-4H3,(H,23,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.8838 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.44 g/mol  logS: -3.33932  SlogP: 4.3184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.229071  Sterimol/B1: 2.46814  Sterimol/B2: 4.84972  Sterimol/B3: 5.75469
  Sterimol/B4: 8.3328  Sterimol/L: 14.6757 
 
 Surface and Volume Properties
  Accessible surface: 627.846  Positive charged surface: 405.623  Negative charged surface: 222.223  Volume: 354.625
  Hydrophobic surface: 499.774  Hydrophilic surface: 128.072
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.