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CHEMBRIDGE-ZINC00512865

 MMsINC code: MMs00630578
Type: Neutral
Formula: C19H25NO
SMILES:   O=C(NC1C2CC3CC1CC(C2)C3)c1cc(cc(c1)C)C
InChI:   InChI=1/C19H25NO/c1-11-3-12(2)5-17(4-11)19(21)20-18-15-7-13-6-14(9-15)10-16(18)8-13/h3-5,13-16,18H,6-10H2,1-2H3,(H,20,21)/t13-,14+,15-,16+,18-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.182 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.415 g/mol  logS: -5.17989  SlogP: 3.85794  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0792376  Sterimol/B1: 1.99122  Sterimol/B2: 3.82063  Sterimol/B3: 4.02971
  Sterimol/B4: 7.08165  Sterimol/L: 14.9372 
 
 Surface and Volume Properties
  Accessible surface: 531.25  Positive charged surface: 371.292  Negative charged surface: 159.958  Volume: 296.875
  Hydrophobic surface: 501.616  Hydrophilic surface: 29.634
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.