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CHEMBRIDGE-ZINC02886301

 MMsINC code: MMs00735930
Type: Neutral
Formula: C16H24N2O2
SMILES:   O1CCN(CC1)CC(=O)NC(CCc1ccccc1)C
InChI:   InChI=1/C16H24N2O2/c1-14(7-8-15-5-3-2-4-6-15)17-16(19)13-18-9-11-20-12-10-18/h2-6,14H,7-13H2,1H3,(H,17,19)/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.8559 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.38 g/mol  logS: -2.31083  SlogP: 1.45607  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0525586  Sterimol/B1: 2.2645  Sterimol/B2: 2.54891  Sterimol/B3: 4.26095
  Sterimol/B4: 7.03793  Sterimol/L: 17.2575 
 
 Surface and Volume Properties
  Accessible surface: 560.463  Positive charged surface: 415.138  Negative charged surface: 145.325  Volume: 293.25
  Hydrophobic surface: 493.489  Hydrophilic surface: 66.974
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00735931
CHEMBRIDGE-ZINC02886301