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ASINEX-ZINC00921374

 MMsINC code: MMs00221306
Type: Neutral
Formula: C29H34N4O3
SMILES:   O(CC)c1ccc(cc1)C(N(C(=O)c1nccnc1)c1ccc(cc1)CC)C(=O)NC1CCCCC1
InChI:   InChI=1/C29H34N4O3/c1-3-21-10-14-24(15-11-21)33(29(35)26-20-30-18-19-31-26)27(22-12-16-25(17-13-22)36-4-2)28(34)32-23-8-6-5-7-9-23/h10-20,23,27H,3-9H2,1-2H3,(H,32,34)/t27-/m1/s1

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Potential Energy
Epot(MMFF94)=186.946 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.616 g/mol  logS: -5.66386  SlogP: 5.37017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156783  Sterimol/B1: 3.27411  Sterimol/B2: 4.4275  Sterimol/B3: 6.38137
  Sterimol/B4: 9.99436  Sterimol/L: 17.0939 
 
 Surface and Volume Properties
  Accessible surface: 772.837  Positive charged surface: 579.971  Negative charged surface: 192.867  Volume: 483.625
  Hydrophobic surface: 656.789  Hydrophilic surface: 116.048
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.