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PUBCHEM-ZINC05725543

 MMsINC code: MMs03360288
Type: Neutral
Formula: C24H37N3O4
SMILES:   O=C1C(C(=O)NC2CCCCC2)C(N(C1=O)C1CCCCC1)C(=O)NC1CCCCC1
InChI:   InChI=1/C24H37N3O4/c28-21-19(22(29)25-16-10-4-1-5-11-16)20(23(30)26-17-12-6-2-7-13-17)27(24(21)31)18-14-8-3-9-15-18/h16-20H,1-15H2,(H,25,29)(H,26,30)/t19-,20-/m0/s1

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Potential Energy
Epot(MMFF94)=50.4558 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 431.577 g/mol  logS: -4.65235  SlogP: 2.613  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0914166  Sterimol/B1: 3.63628  Sterimol/B2: 3.91915  Sterimol/B3: 4.34421
  Sterimol/B4: 8.40189  Sterimol/L: 17.1921 
 
 Surface and Volume Properties
  Accessible surface: 676.817  Positive charged surface: 504.034  Negative charged surface: 172.783  Volume: 427
  Hydrophobic surface: 564.973  Hydrophilic surface: 111.844
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.