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CHEMBLOCK-ZINC04753771

 MMsINC code: MMs00577355
Type: Neutral
Formula: C24H31NO2
SMILES:   O=C1N(CCC23CC4CC(C2)CC(C3)C4)C(=O)CC1Cc1cc(ccc1)C
InChI:   InChI=1/C24H31NO2/c1-16-3-2-4-17(7-16)11-21-12-22(26)25(23(21)27)6-5-24-13-18-8-19(14-24)10-20(9-18)15-24/h2-4,7,18-21H,5-6,8-15H2,1H3/t18-,19+,20-,21-,24+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.6616 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.517 g/mol  logS: -6.9948  SlogP: 4.51909  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.064314  Sterimol/B1: 3.34079  Sterimol/B2: 3.57813  Sterimol/B3: 4.43816
  Sterimol/B4: 6.87912  Sterimol/L: 17.8694 
 
 Surface and Volume Properties
  Accessible surface: 628.79  Positive charged surface: 445.283  Negative charged surface: 183.507  Volume: 374.625
  Hydrophobic surface: 571.346  Hydrophilic surface: 57.444
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.