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CHEMBLOCK-ZINC01432582

 MMsINC code: MMs00524527
Type: Neutral
Formula: C18H20N2O3
SMILES:   O1C(Cc2ccccc2)(C)C(O)(N(Nc2ccccc2)C1=O)C
InChI:   InChI=1/C18H20N2O3/c1-17(13-14-9-5-3-6-10-14)18(2,22)20(16(21)23-17)19-15-11-7-4-8-12-15/h3-12,19,22H,13H2,1-2H3/t17-,18+/m0/s1

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Potential Energy
Epot(MMFF94)=111.286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.369 g/mol  logS: -3.74114  SlogP: 3.17557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0700048  Sterimol/B1: 2.92028  Sterimol/B2: 3.73388  Sterimol/B3: 3.88279
  Sterimol/B4: 6.76047  Sterimol/L: 16.1102 
 
 Surface and Volume Properties
  Accessible surface: 536.686  Positive charged surface: 301.692  Negative charged surface: 234.994  Volume: 302.25
  Hydrophobic surface: 421.255  Hydrophilic surface: 115.431
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.