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ENAMINE-ZINC03362718

 MMsINC code: MMs01396739
Type: Neutral
Formula: C24H24N4O6
SMILES:   O=C1N(C)C(=O)N(C)C(N)=C1C(=O)COC(=O)C(NC(=O)c1ccccc1)Cc1cccc
c1
InChI:   InChI=1/C24H24N4O6/c1-27-20(25)19(22(31)28(2)24(27)33)18(29)14-34-23(32)17(13-15-9-5-3-6-10-15)26-21(30)16-11-7-4-8-12-16/h3-12,17H,13-14,25H2,1-2H3,(H,26,30)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.9353 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 464.478 g/mol  logS: -4.76614  SlogP: 0.83407  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0233097  Sterimol/B1: 2.83219  Sterimol/B2: 3.8556  Sterimol/B3: 5.05595
  Sterimol/B4: 7.33964  Sterimol/L: 20.1033 
 
 Surface and Volume Properties
  Accessible surface: 734.654  Positive charged surface: 484.01  Negative charged surface: 250.644  Volume: 423
  Hydrophobic surface: 546.008  Hydrophilic surface: 188.646
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 0
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Ions/Tautomers related molecules: no related molecules available.