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NCID-ZINC04958395

 MMsINC code: MMs02418598
Type: Neutral
Formula: C25H32N4O5
SMILES:   O=C1N(CC(=O)NCC(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)C(=O)c2c1cccc2
InChI:   InChI=1/C25H32N4O5/c30-21(16-28-23(32)19-13-7-8-14-20(19)24(28)33)26-15-22(31)29(18-11-5-2-6-12-18)25(34)27-17-9-3-1-4-10-17/h7-8,13-14,17-18H,1-6,9-12,15-16H2,(H,26,30)(H,27,34)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.6906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 468.554 g/mol  logS: -5.34469  SlogP: 2.6024  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.046823  Sterimol/B1: 3.03282  Sterimol/B2: 5.0806  Sterimol/B3: 5.30253
  Sterimol/B4: 5.70595  Sterimol/L: 22.4521 
 
 Surface and Volume Properties
  Accessible surface: 766.94  Positive charged surface: 506.97  Negative charged surface: 259.97  Volume: 440.25
  Hydrophobic surface: 585.553  Hydrophilic surface: 181.387
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 0
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Ions/Tautomers related molecules: no related molecules available.