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ENAMINE-ZINC05167788

 MMsINC code: MMs01594378
Type: Neutral
Formula: C23H25N3O4
SMILES:   O(C)c1ccccc1CN(C(=O)CN1C(=O)C2(NC1=O)CCCc1c2cccc1)C
InChI:   InChI=1/C23H25N3O4/c1-25(14-17-9-4-6-12-19(17)30-2)20(27)15-26-21(28)23(24-22(26)29)13-7-10-16-8-3-5-11-18(16)23/h3-6,8-9,11-12H,7,10,13-15H2,1-2H3,(H,24,29)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.7987 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.47 g/mol  logS: -4.58811  SlogP: 3.01507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141884  Sterimol/B1: 2.34994  Sterimol/B2: 4.07981  Sterimol/B3: 4.57673
  Sterimol/B4: 8.17437  Sterimol/L: 15.2862 
 
 Surface and Volume Properties
  Accessible surface: 615.758  Positive charged surface: 427.945  Negative charged surface: 187.813  Volume: 384.625
  Hydrophobic surface: 513.404  Hydrophilic surface: 102.354
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.