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ENAMINE-ZINC03505208

 MMsINC code: MMs01479289
Type: Neutral
Formula: C23H28N2O3
SMILES:   O(C(=O)c1c2CCCCCc2nc2c1cccc2)CC(=O)N1CCCCC1C
InChI:   InChI=1/C23H28N2O3/c1-16-9-7-8-14-25(16)21(26)15-28-23(27)22-17-10-3-2-4-12-19(17)24-20-13-6-5-11-18(20)22/h5-6,11,13,16H,2-4,7-10,12,14-15H2,1H3/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.488 g/mol  logS: -5.10712  SlogP: 4.06144  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.086071  Sterimol/B1: 2.25481  Sterimol/B2: 6.22334  Sterimol/B3: 6.36616
  Sterimol/B4: 6.43804  Sterimol/L: 16.0973 
 
 Surface and Volume Properties
  Accessible surface: 656.21  Positive charged surface: 451.389  Negative charged surface: 198.784  Volume: 375
  Hydrophobic surface: 573.36  Hydrophilic surface: 82.85
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.