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AURORAFEINCHEMIE-ZINC04029687

 MMsINC code: MMs00463590
Type: Neutral
Formula: C19H25NO3
SMILES:   O1CCC(CC1(C)C)(CCN1C(=O)CCC1=O)c1ccccc1
InChI:   InChI=1/C19H25NO3/c1-18(2)14-19(11-13-23-18,15-6-4-3-5-7-15)10-12-20-16(21)8-9-17(20)22/h3-7H,8-14H2,1-2H3/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=142.968 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.413 g/mol  logS: -3.08681  SlogP: 3.0525  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.256687  Sterimol/B1: 3.58628  Sterimol/B2: 3.81986  Sterimol/B3: 4.49032
  Sterimol/B4: 8.49418  Sterimol/L: 11.9833 
 
 Surface and Volume Properties
  Accessible surface: 523.404  Positive charged surface: 357.576  Negative charged surface: 165.828  Volume: 312.5
  Hydrophobic surface: 429.045  Hydrophilic surface: 94.359
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.