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CHEMBLOCK-ZINC04753725

 MMsINC code: MMs00577330
Type: Neutral
Formula: C24H31NO2
SMILES:   O=C1N(CC23CC4CC(C2)CC(C3)C4)C(=O)CC1Cc1cc(cc(c1)C)C
InChI:   InChI=1/C24H31NO2/c1-15-3-16(2)5-17(4-15)9-21-10-22(26)25(23(21)27)14-24-11-18-6-19(12-24)8-20(7-18)13-24/h3-5,18-21H,6-14H2,1-2H3/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)=59.8023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.517 g/mol  logS: -6.3266  SlogP: 4.43741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105407  Sterimol/B1: 4.02556  Sterimol/B2: 4.09498  Sterimol/B3: 5.40233
  Sterimol/B4: 5.91493  Sterimol/L: 15.767 
 
 Surface and Volume Properties
  Accessible surface: 592.132  Positive charged surface: 422.354  Negative charged surface: 169.777  Volume: 372.875
  Hydrophobic surface: 543.286  Hydrophilic surface: 48.846
 
 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.