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NANOSIN-ZINC03897110

 MMsINC code: MMs02203298
Type: Neutral
Formula: C23H25NO
SMILES:   Oc1ccc(cc1)\C=N\c1ccc(cc1)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C23H25NO/c25-22-7-1-16(2-8-22)15-24-21-5-3-20(4-6-21)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-8,15,17-19,25H,9-14H2/b24-15+/t17-,18+,19-,23-

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Potential Energy
Epot(MMFF94)=89.3965 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.459 g/mol  logS: -7.75245  SlogP: 5.6106  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0455908  Sterimol/B1: 2.60882  Sterimol/B2: 3.42672  Sterimol/B3: 4.46724
  Sterimol/B4: 5.17902  Sterimol/L: 18.9466 
 
 Surface and Volume Properties
  Accessible surface: 597.715  Positive charged surface: 409.602  Negative charged surface: 188.113  Volume: 340.875
  Hydrophobic surface: 530.361  Hydrophilic surface: 67.354
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.