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ENAMINE-ZINC02640856

 MMsINC code: MMs01268951
Type: Neutral
Formula: C24H27NO5
SMILES:   O1CCCC1COc1ccc(cc1)C(OCC(=O)NC1CCCc2c1cccc2)=O
InChI:   InChI=1/C24H27NO5/c26-23(25-22-9-3-6-17-5-1-2-8-21(17)22)16-30-24(27)18-10-12-19(13-11-18)29-15-20-7-4-14-28-20/h1-2,5,8,10-13,20,22H,3-4,6-7,9,14-16H2,(H,25,26)/t20-,22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.019 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.482 g/mol  logS: -5.35334  SlogP: 3.69047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0445213  Sterimol/B1: 2.17765  Sterimol/B2: 2.28398  Sterimol/B3: 6.19193
  Sterimol/B4: 7.93635  Sterimol/L: 21.6396 
 
 Surface and Volume Properties
  Accessible surface: 734.162  Positive charged surface: 495.461  Negative charged surface: 238.701  Volume: 398.125
  Hydrophobic surface: 639.847  Hydrophilic surface: 94.315
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.