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ENAMINE-ZINC03461286

 MMsINC code: MMs01457261
Type: Neutral
Formula: C19H24N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC2CCCC2)C(=O)NC1(C)c1ccc(cc1)C
InChI:   InChI=1/C19H24N4O4/c1-12-7-9-13(10-8-12)19(2)16(25)23(18(27)22-19)11-15(24)21-17(26)20-14-5-3-4-6-14/h7-10,14H,3-6,11H2,1-2H3,(H,22,27)(H2,20,21,24,26)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.8332 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.425 g/mol  logS: -3.96054  SlogP: 1.84192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0595457  Sterimol/B1: 2.09423  Sterimol/B2: 3.77613  Sterimol/B3: 3.938
  Sterimol/B4: 8.94571  Sterimol/L: 17.4712 
 
 Surface and Volume Properties
  Accessible surface: 647.772  Positive charged surface: 423.741  Negative charged surface: 224.031  Volume: 348.625
  Hydrophobic surface: 459.682  Hydrophilic surface: 188.09
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.