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APOLLO-ZINC00154318

 MMsINC code: MMs00044422
Type: Neutral
Formula: C15H24N2O2
SMILES:   O(C)c1cccc(OC)c1CN1CCC(NC)CC1
InChI:   InChI=1/C15H24N2O2/c1-16-12-7-9-17(10-8-12)11-13-14(18-2)5-4-6-15(13)19-3/h4-6,12,16H,7-11H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.7425 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.369 g/mol  logS: -1.67641  SlogP: 2.154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137104  Sterimol/B1: 2.2619  Sterimol/B2: 4.81282  Sterimol/B3: 5.30644
  Sterimol/B4: 6.13803  Sterimol/L: 13.7795 
 
 Surface and Volume Properties
  Accessible surface: 519.234  Positive charged surface: 451.186  Negative charged surface: 68.048  Volume: 275.75
  Hydrophobic surface: 485.853  Hydrophilic surface: 33.381
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00044423
APOLLO-ZINC00154318