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CHEMBLOCK-ZINC04769734

 MMsINC code: MMs00577785
Type: Neutral
Formula: C14H20N2O3
SMILES:   O1CCN(CC1)CCCNC(=O)c1ccccc1O
InChI:   InChI=1/C14H20N2O3/c17-13-5-2-1-4-12(13)14(18)15-6-3-7-16-8-10-19-11-9-16/h1-2,4-5,17H,3,6-11H2,(H,15,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.9053 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.325 g/mol  logS: -1.5602  SlogP: 0.8443  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0263479  Sterimol/B1: 2.5361  Sterimol/B2: 2.75734  Sterimol/B3: 3.62246
  Sterimol/B4: 5.90944  Sterimol/L: 16.9921 
 
 Surface and Volume Properties
  Accessible surface: 521.92  Positive charged surface: 393.237  Negative charged surface: 128.682  Volume: 260.875
  Hydrophobic surface: 426.677  Hydrophilic surface: 95.243
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00577786
CHEMBLOCK-ZINC04769734