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NIH-ZINC04092282

 MMsINC code: MMs02530634
Type: Neutral
Formula: C26H34N4O4
SMILES:   O(CCCC)c1ccc(N(C(=O)CCC(=O)Nc2ncccc2)CC(=O)NC2CCCC2)cc1
InChI:   InChI=1/C26H34N4O4/c1-2-3-18-34-22-13-11-21(12-14-22)30(19-25(32)28-20-8-4-5-9-20)26(33)16-15-24(31)29-23-10-6-7-17-27-23/h6-7,10-14,17,20H,2-5,8-9,15-16,18-19H2,1H3,(H,28,32)(H,27,29,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.2335 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 466.582 g/mol  logS: -4.51744  SlogP: 4.0712  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.051267  Sterimol/B1: 2.57582  Sterimol/B2: 5.3429  Sterimol/B3: 5.96019
  Sterimol/B4: 9.53315  Sterimol/L: 23.473 
 
 Surface and Volume Properties
  Accessible surface: 854.747  Positive charged surface: 612.705  Negative charged surface: 242.042  Volume: 465.5
  Hydrophobic surface: 707.061  Hydrophilic surface: 147.686
 
 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.