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CHEMBRIDGE-ZINC04978710

 MMsINC code: MMs00817397
Type: Neutral
Formula: C19H25NO
SMILES:   O(CCN(C)C1CCCCC1)c1c2c(ccc1)cccc2
InChI:   InChI=1/C19H25NO/c1-20(17-10-3-2-4-11-17)14-15-21-19-13-7-9-16-8-5-6-12-18(16)19/h5-9,12-13,17H,2-4,10-11,14-15H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.3145 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.415 g/mol  logS: -4.68217  SlogP: 4.4831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14095  Sterimol/B1: 2.61067  Sterimol/B2: 2.98058  Sterimol/B3: 5.86505
  Sterimol/B4: 7.32233  Sterimol/L: 14.8376 
 
 Surface and Volume Properties
  Accessible surface: 556.886  Positive charged surface: 390.833  Negative charged surface: 154.706  Volume: 305.875
  Hydrophobic surface: 556.17  Hydrophilic surface: 0.71600000000001
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs00817398
CHEMBRIDGE-ZINC04978710