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ENAMINE-ZINC05797872

 MMsINC code: MMs01640216
Type: Neutral
Formula: C20H29N3O4
SMILES:   O(C)c1ccc(cc1)C1(NC(=O)N(CC(=O)N(C(C)C)C(C)C)C1=O)CC
InChI:   InChI=1/C20H29N3O4/c1-7-20(15-8-10-16(27-6)11-9-15)18(25)22(19(26)21-20)12-17(24)23(13(2)3)14(4)5/h8-11,13-14H,7,12H2,1-6H3,(H,21,26)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.8524 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.469 g/mol  logS: -3.75717  SlogP: 2.8092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106572  Sterimol/B1: 2.33653  Sterimol/B2: 3.8775  Sterimol/B3: 4.42295
  Sterimol/B4: 9.51956  Sterimol/L: 16.1831 
 
 Surface and Volume Properties
  Accessible surface: 641.517  Positive charged surface: 425.507  Negative charged surface: 216.011  Volume: 371.75
  Hydrophobic surface: 455.142  Hydrophilic surface: 186.375
 
 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.