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CHEMDIV-ZINC05055411

 MMsINC code: MMs00984415
Type: Neutral
Formula: C25H30N2O3
SMILES:   O(CC)c1cc(ccc1OCC)CCNC(=O)C(n1cccc1)Cc1ccccc1
InChI:   InChI=1/C25H30N2O3/c1-3-29-23-13-12-21(19-24(23)30-4-2)14-15-26-25(28)22(27-16-8-9-17-27)18-20-10-6-5-7-11-20/h5-13,16-17,19,22H,3-4,14-15,18H2,1-2H3,(H,26,28)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.1507 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.526 g/mol  logS: -4.3086  SlogP: 4.52364  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0407186  Sterimol/B1: 2.50886  Sterimol/B2: 3.69091  Sterimol/B3: 5.48444
  Sterimol/B4: 8.48776  Sterimol/L: 21.5393 
 
 Surface and Volume Properties
  Accessible surface: 767.151  Positive charged surface: 511.604  Negative charged surface: 255.547  Volume: 423.125
  Hydrophobic surface: 661.136  Hydrophilic surface: 106.015
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.