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CHEMDIV-ZINC06769882

 MMsINC code: MMs01018746
Type: Neutral
Formula: C25H30N2O3
SMILES:   O(CC)c1ccc(cc1)CCNC(=O)c1c2c(CN(C3CCCCC3)C2=O)ccc1
InChI:   InChI=1/C25H30N2O3/c1-2-30-21-13-11-18(12-14-21)15-16-26-24(28)22-10-6-7-19-17-27(25(29)23(19)22)20-8-4-3-5-9-20/h6-7,10-14,20H,2-5,8-9,15-17H2,1H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.526 g/mol  logS: -5.37165  SlogP: 4.61267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0374474  Sterimol/B1: 3.35672  Sterimol/B2: 3.47937  Sterimol/B3: 4.40054
  Sterimol/B4: 9.76586  Sterimol/L: 20.4961 
 
 Surface and Volume Properties
  Accessible surface: 733.924  Positive charged surface: 522.611  Negative charged surface: 211.313  Volume: 410.5
  Hydrophobic surface: 649.178  Hydrophilic surface: 84.746
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.