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ENAMINE-ZINC03471616

 MMsINC code: MMs01461534
Type: Neutral
Formula: C24H32N2O5
SMILES:   O=C1N(CCC(C)C)C(=O)c2c1cc(cc2)C(OC(C(=O)N(C)C1CCCCC1)C)=O
InChI:   InChI=1/C24H32N2O5/c1-15(2)12-13-26-22(28)19-11-10-17(14-20(19)23(26)29)24(30)31-16(3)21(27)25(4)18-8-6-5-7-9-18/h10-11,14-16,18H,5-9,12-13H2,1-4H3/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.2298 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 428.529 g/mol  logS: -5.74081  SlogP: 3.6651  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0357273  Sterimol/B1: 2.51463  Sterimol/B2: 3.16275  Sterimol/B3: 5.36622
  Sterimol/B4: 7.08411  Sterimol/L: 23.1395 
 
 Surface and Volume Properties
  Accessible surface: 751.719  Positive charged surface: 503.939  Negative charged surface: 247.78  Volume: 420.875
  Hydrophobic surface: 557.711  Hydrophilic surface: 194.008
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.