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PUBCHEM-ZINC00874867

 MMsINC code: MMs02740636
Type: Neutral
Formula: C17H19NO2
SMILES:   OC(=O)c1c2CCCCCc2nc2c1cc(cc2)CC
InChI:   InChI=1/C17H19NO2/c1-2-11-8-9-15-13(10-11)16(17(19)20)12-6-4-3-5-7-14(12)18-15/h8-10H,2-7H2,1H3,(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.4316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.344 g/mol  logS: -4.53599  SlogP: 3.76421  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0580815  Sterimol/B1: 2.19615  Sterimol/B2: 3.943  Sterimol/B3: 4.97832
  Sterimol/B4: 5.20049  Sterimol/L: 14.8325 
 
 Surface and Volume Properties
  Accessible surface: 501.463  Positive charged surface: 319.518  Negative charged surface: 175.458  Volume: 268.5
  Hydrophobic surface: 381.776  Hydrophilic surface: 119.687
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02740637
PUBCHEM-ZINC00874867