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ENAMINE-ZINC06549645

 MMsINC code: MMs01670718
Type: Neutral
Formula: C19H24N4O4
SMILES:   O=C1NC(=O)N(CCC)C(N)=C1N(CCOC)C(=O)\C=C\c1ccccc1
InChI:   InChI=1/C19H24N4O4/c1-3-11-23-17(20)16(18(25)21-19(23)26)22(12-13-27-2)15(24)10-9-14-7-5-4-6-8-14/h4-10H,3,11-13,20H2,1-2H3,(H,21,25,26)/b10-9+

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Potential Energy
Epot(MMFF94)=77.3283 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.425 g/mol  logS: -3.43065  SlogP: 1.2644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0954854  Sterimol/B1: 2.46664  Sterimol/B2: 3.10394  Sterimol/B3: 4.6415
  Sterimol/B4: 8.07944  Sterimol/L: 18.0656 
 
 Surface and Volume Properties
  Accessible surface: 634.804  Positive charged surface: 428.92  Negative charged surface: 205.884  Volume: 356.125
  Hydrophobic surface: 456.632  Hydrophilic surface: 178.172
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.