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ASINEX-ZINC04875823

 MMsINC code: MMs00392371
Type: Neutral
Formula: C18H27N3O4S
SMILES:   s1cccc1C(=O)NCC(=O)N(CC(=O)NC1CCCCC1)CCOC
InChI:   InChI=1/C18H27N3O4S/c1-25-10-9-21(13-16(22)20-14-6-3-2-4-7-14)17(23)12-19-18(24)15-8-5-11-26-15/h5,8,11,14H,2-4,6-7,9-10,12-13H2,1H3,(H,19,24)(H,20,22)

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Potential Energy
Epot(MMFF94)=64.9183 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.497 g/mol  logS: -3.19061  SlogP: 1.4018  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0425136  Sterimol/B1: 2.28233  Sterimol/B2: 2.5874  Sterimol/B3: 3.97149
  Sterimol/B4: 10.7559  Sterimol/L: 18.6671 
 
 Surface and Volume Properties
  Accessible surface: 681.651  Positive charged surface: 473.666  Negative charged surface: 207.986  Volume: 364.5
  Hydrophobic surface: 570.455  Hydrophilic surface: 111.196
 
 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: no related molecules available.