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NCID-ZINC01646435

 MMsINC code: MMs02287087
Type: Neutral
Formula: C15H21NO3
SMILES:   O(C)c1cc(ccc1O)C(=O)CCN1CCCCC1
InChI:   InChI=1/C15H21NO3/c1-19-15-11-12(5-6-14(15)18)13(17)7-10-16-8-3-2-4-9-16/h5-6,11,18H,2-4,7-10H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.2404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.337 g/mol  logS: -1.91218  SlogP: 2.4595  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.03247  Sterimol/B1: 1.98947  Sterimol/B2: 2.87464  Sterimol/B3: 3.51743
  Sterimol/B4: 6.58562  Sterimol/L: 16.1788 
 
 Surface and Volume Properties
  Accessible surface: 526.333  Positive charged surface: 408.475  Negative charged surface: 117.858  Volume: 266
  Hydrophobic surface: 435.765  Hydrophilic surface: 90.568
 
 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


MMs02287088
NCID-ZINC01646435