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CHEMDIV-ZINC02913127

 MMsINC code: MMs00889784
Type: Neutral
Formula: C23H34N2O2
SMILES:   O=C1N(CCc2ccc(cc2)C)C(CC1)(C(=O)NC1CCCCCCC1)C
InChI:   InChI=1/C23H34N2O2/c1-18-10-12-19(13-11-18)15-17-25-21(26)14-16-23(25,2)22(27)24-20-8-6-4-3-5-7-9-20/h10-13,20H,3-9,14-17H2,1-2H3,(H,24,27)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.257 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.537 g/mol  logS: -5.1943  SlogP: 4.14769  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101321  Sterimol/B1: 2.33917  Sterimol/B2: 3.83233  Sterimol/B3: 4.77763
  Sterimol/B4: 8.89997  Sterimol/L: 18.0683 
 
 Surface and Volume Properties
  Accessible surface: 656.418  Positive charged surface: 432.876  Negative charged surface: 223.542  Volume: 389.5
  Hydrophobic surface: 590.232  Hydrophilic surface: 66.186
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.