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CHEMDIV-ZINC00426335

 MMsINC code: MMs00851520
Type: Neutral
Formula: C15H16N2O3
SMILES:   o1nc(c2CCCCc12)C(=O)Nc1cc(ccc1O)C
InChI:   InChI=1/C15H16N2O3/c1-9-6-7-12(18)11(8-9)16-15(19)14-10-4-2-3-5-13(10)20-17-14/h6-8,18H,2-5H2,1H3,(H,16,19)

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Potential Energy
Epot(MMFF94)=76.4689 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.304 g/mol  logS: -3.35492  SlogP: 2.81966  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0313545  Sterimol/B1: 2.10125  Sterimol/B2: 2.50663  Sterimol/B3: 3.39328
  Sterimol/B4: 7.22401  Sterimol/L: 15.1373 
 
 Surface and Volume Properties
  Accessible surface: 498.383  Positive charged surface: 332.947  Negative charged surface: 165.436  Volume: 256.375
  Hydrophobic surface: 387.966  Hydrophilic surface: 110.417
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.