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CHEMBRIDGE-ZINC04869295

 MMsINC code: MMs00807094
Type: Neutral
Formula: C19H29NO3
SMILES:   O(CCCCN1CCC(CC1)C)c1ccc(cc1OC)C(=O)C
InChI:   InChI=1/C19H29NO3/c1-15-8-11-20(12-9-15)10-4-5-13-23-18-7-6-17(16(2)21)14-19(18)22-3/h6-7,14-15H,4-5,8-13H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.1837 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.445 g/mol  logS: -3.36871  SlogP: 3.7887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0199646  Sterimol/B1: 3.12219  Sterimol/B2: 3.28365  Sterimol/B3: 3.57887
  Sterimol/B4: 7.23652  Sterimol/L: 19.994 
 
 Surface and Volume Properties
  Accessible surface: 639.993  Positive charged surface: 499.205  Negative charged surface: 140.788  Volume: 336
  Hydrophobic surface: 563.169  Hydrophilic surface: 76.824
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs00807095
CHEMBRIDGE-ZINC04869295