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PUBCHEM-ZINC05977337

 MMsINC code: MMs03472777
Type: Neutral
Formula: C24H34N4O3
SMILES:   O(CCN(CC(=O)N1CCn2c(ccc2)C1c1ccc(cc1)C(C)C)C(=O)N(C)C)C
InChI:   InChI=1/C24H34N4O3/c1-18(2)19-8-10-20(11-9-19)23-21-7-6-12-26(21)13-14-28(23)22(29)17-27(15-16-31-5)24(30)25(3)4/h6-12,18,23H,13-17H2,1-5H3/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=197.243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.561 g/mol  logS: -3.28072  SlogP: 3.535  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.243494  Sterimol/B1: 2.42167  Sterimol/B2: 4.37934  Sterimol/B3: 5.89664
  Sterimol/B4: 11.5895  Sterimol/L: 15.8258 
 
 Surface and Volume Properties
  Accessible surface: 720.964  Positive charged surface: 573.779  Negative charged surface: 147.185  Volume: 429.75
  Hydrophobic surface: 627.166  Hydrophilic surface: 93.798
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.