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NCID-ZINC01677544

 MMsINC code: MMs02312537
Type: Neutral
Formula: C20H23NO
SMILES:   OC(CN(CC)CC)c1c2c(cc3c1cccc3)cccc2
InChI:   InChI=1/C20H23NO/c1-3-21(4-2)14-19(22)20-17-11-7-5-9-15(17)13-16-10-6-8-12-18(16)20/h5-13,19,22H,3-4,14H2,1-2H3/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.44 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.41 g/mol  logS: -5.46397  SlogP: 4.4637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0595244  Sterimol/B1: 3.03694  Sterimol/B2: 4.11065  Sterimol/B3: 4.28344
  Sterimol/B4: 8.05534  Sterimol/L: 13.2576 
 
 Surface and Volume Properties
  Accessible surface: 537.532  Positive charged surface: 315.842  Negative charged surface: 200.751  Volume: 309.125
  Hydrophobic surface: 463.658  Hydrophilic surface: 73.874
 
 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


MMs02312538
NCID-ZINC01677544