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ENAMINE-ZINC04351049

 MMsINC code: MMs01538904
Type: Neutral
Formula: C23H25NO4
SMILES:   O(C(=O)c1ccc(cc1)C(=O)c1ccccc1)CC(=O)N1CCCCC1CC
InChI:   InChI=1/C23H25NO4/c1-2-20-10-6-7-15-24(20)21(25)16-28-23(27)19-13-11-18(12-14-19)22(26)17-8-4-3-5-9-17/h3-5,8-9,11-14,20H,2,6-7,10,15-16H2,1H3/t20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.456 g/mol  logS: -5.18913  SlogP: 3.8655  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0199207  Sterimol/B1: 2.31383  Sterimol/B2: 3.11253  Sterimol/B3: 3.11302
  Sterimol/B4: 8.9235  Sterimol/L: 19.8176 
 
 Surface and Volume Properties
  Accessible surface: 670.749  Positive charged surface: 425.388  Negative charged surface: 245.361  Volume: 374.375
  Hydrophobic surface: 552.972  Hydrophilic surface: 117.777
 
 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.