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ENAMINE-ZINC05797952

 MMsINC code: MMs01640273
Type: Neutral
Formula: C19H27N3O4
SMILES:   O(C)c1ccc(cc1)C1(NC(=O)N(CC(=O)NC(C(C)C)C)C1=O)CC
InChI:   InChI=1/C19H27N3O4/c1-6-19(14-7-9-15(26-5)10-8-14)17(24)22(18(25)21-19)11-16(23)20-13(4)12(2)3/h7-10,12-13H,6,11H2,1-5H3,(H,20,23)(H,21,25)/t13-,19+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.442 g/mol  logS: -3.61228  SlogP: 2.3245  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0691306  Sterimol/B1: 2.44945  Sterimol/B2: 3.3786  Sterimol/B3: 4.91018
  Sterimol/B4: 6.90456  Sterimol/L: 19.3654 
 
 Surface and Volume Properties
  Accessible surface: 628.034  Positive charged surface: 423.114  Negative charged surface: 204.92  Volume: 355.125
  Hydrophobic surface: 438.491  Hydrophilic surface: 189.543
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.