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CHEMDIV-ZINC04747601

 MMsINC code: MMs00946780
Type: Neutral
Formula: C24H37N3O3
SMILES:   O(C)c1ccccc1N1CCN(CC1)C(=O)C(NC(=O)C1CCCCC1)CC(C)C
InChI:   InChI=1/C24H37N3O3/c1-18(2)17-20(25-23(28)19-9-5-4-6-10-19)24(29)27-15-13-26(14-16-27)21-11-7-8-12-22(21)30-3/h7-8,11-12,18-20H,4-6,9-10,13-17H2,1-3H3,(H,25,28)/t20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=168.805 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.578 g/mol  logS: -5.1646  SlogP: 3.455  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0656117  Sterimol/B1: 2.47037  Sterimol/B2: 3.73696  Sterimol/B3: 5.53392
  Sterimol/B4: 7.18345  Sterimol/L: 19.9915 
 
 Surface and Volume Properties
  Accessible surface: 729.186  Positive charged surface: 562.655  Negative charged surface: 166.53  Volume: 427.875
  Hydrophobic surface: 638.684  Hydrophilic surface: 90.502
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.