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CHEMDIV-ZINC06809021

 MMsINC code: MMs01036527
Type: Neutral
Formula: C24H36N4O3
SMILES:   O(C(=O)C1CCN(CC1)C(=O)CCc1c(c2c(nc1C)n(nc2C)C(C)(C)C)C)CC
InChI:   InChI=1/C24H36N4O3/c1-8-31-23(30)18-11-13-27(14-12-18)20(29)10-9-19-15(2)21-17(4)26-28(24(5,6)7)22(21)25-16(19)3/h18H,8-14H2,1-7H3

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Potential Energy
Epot(MMFF94)=92.0385 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 428.577 g/mol  logS: -4.65063  SlogP: 4.15733  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0938194  Sterimol/B1: 2.15663  Sterimol/B2: 3.22356  Sterimol/B3: 6.62363
  Sterimol/B4: 8.40644  Sterimol/L: 20.0281 
 
 Surface and Volume Properties
  Accessible surface: 765.818  Positive charged surface: 550.7  Negative charged surface: 209.143  Volume: 438.5
  Hydrophobic surface: 624.777  Hydrophilic surface: 141.041
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.