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CHEMDIV-ZINC01770406

 MMsINC code: MMs00867786
Type: Neutral
Formula: C24H28N2O4
SMILES:   O(CCNC(=O)CCCCCN1C(=O)c2c(cccc2)C1=O)c1cc(cc(c1)C)C
InChI:   InChI=1/C24H28N2O4/c1-17-14-18(2)16-19(15-17)30-13-11-25-22(27)10-4-3-7-12-26-23(28)20-8-5-6-9-21(20)24(26)29/h5-6,8-9,14-16H,3-4,7,10-13H2,1-2H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.0996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.498 g/mol  logS: -5.38709  SlogP: 3.65504  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0214309  Sterimol/B1: 2.60237  Sterimol/B2: 2.93688  Sterimol/B3: 4.64853
  Sterimol/B4: 6.89737  Sterimol/L: 24.4308 
 
 Surface and Volume Properties
  Accessible surface: 775.755  Positive charged surface: 508.796  Negative charged surface: 266.959  Volume: 407.5
  Hydrophobic surface: 648.927  Hydrophilic surface: 126.828
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.