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CHEMDIV-ZINC06936488

 MMsINC code: MMs01064820
Type: Neutral
Formula: C24H38N6O
SMILES:   O=C(N(CC(C)C)CC(C)C)C1CCCN(C1)c1ncnc2n3CCCCCc3nc12
InChI:   InChI=1/C24H38N6O/c1-17(2)13-29(14-18(3)4)24(31)19-9-8-11-28(15-19)22-21-23(26-16-25-22)30-12-7-5-6-10-20(30)27-21/h16-19H,5-15H2,1-4H3/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=136.998 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.609 g/mol  logS: -4.06256  SlogP: 4.17607  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0511046  Sterimol/B1: 2.69525  Sterimol/B2: 3.85413  Sterimol/B3: 4.19686
  Sterimol/B4: 8.74435  Sterimol/L: 19.4011 
 
 Surface and Volume Properties
  Accessible surface: 724.769  Positive charged surface: 571.898  Negative charged surface: 152.871  Volume: 435.625
  Hydrophobic surface: 556.064  Hydrophilic surface: 168.705
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.