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CHEMBLOCK-ZINC04698249

 MMsINC code: MMs00570727
Type: Neutral
Formula: C23H29NO2
SMILES:   O=C1N(CC23CC4CC(C2)CC(C3)C4)C(=O)CC1Cc1ccc(cc1)C
InChI:   InChI=1/C23H29NO2/c1-15-2-4-16(5-3-15)9-20-10-21(25)24(22(20)26)14-23-11-17-6-18(12-23)8-19(7-17)13-23/h2-5,17-20H,6-14H2,1H3/t17-,18+,19-,20-,23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.8243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.49 g/mol  logS: -5.85268  SlogP: 4.12899  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110723  Sterimol/B1: 2.307  Sterimol/B2: 3.84179  Sterimol/B3: 3.97566
  Sterimol/B4: 8.02326  Sterimol/L: 16.0167 
 
 Surface and Volume Properties
  Accessible surface: 591.056  Positive charged surface: 424.036  Negative charged surface: 167.021  Volume: 356.375
  Hydrophobic surface: 554.289  Hydrophilic surface: 36.767
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.