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CHEMDIV-ZINC06921272

 MMsINC code: MMs01063507
Type: Neutral
Formula: C23H34N2O4
SMILES:   O(C(C)C)c1ccc(cc1OC)C1N(CCC)C(=O)CN(C1=O)C1CCCCC1
InChI:   InChI=1/C23H34N2O4/c1-5-13-24-21(26)15-25(18-9-7-6-8-10-18)23(27)22(24)17-11-12-19(29-16(2)3)20(14-17)28-4/h11-12,14,16,18,22H,5-10,13,15H2,1-4H3/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.725 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.535 g/mol  logS: -4.39574  SlogP: 4.0325  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.208483  Sterimol/B1: 2.40126  Sterimol/B2: 4.16731  Sterimol/B3: 6.26931
  Sterimol/B4: 10.4206  Sterimol/L: 15.7777 
 
 Surface and Volume Properties
  Accessible surface: 695.402  Positive charged surface: 534.697  Negative charged surface: 160.705  Volume: 406.375
  Hydrophobic surface: 566.09  Hydrophilic surface: 129.312
 
 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.