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PUBCHEM-ZINC06906796

 MMsINC code: MMs03897206
Type: Neutral
Formula: C18H31N3O3
SMILES:   O=C1N(CC(=O)NC2CCCCCC2)C(=O)NC1(CCC(C)C)C
InChI:   InChI=1/C18H31N3O3/c1-13(2)10-11-18(3)16(23)21(17(24)20-18)12-15(22)19-14-8-6-4-5-7-9-14/h13-14H,4-12H2,1-3H3,(H,19,22)(H,20,24)/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=39.9648 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.464 g/mol  logS: -4.59527  SlogP: 2.5721  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0429029  Sterimol/B1: 2.60266  Sterimol/B2: 4.10032  Sterimol/B3: 4.26338
  Sterimol/B4: 4.41322  Sterimol/L: 19.6765 
 
 Surface and Volume Properties
  Accessible surface: 619.447  Positive charged surface: 445.811  Negative charged surface: 173.636  Volume: 343
  Hydrophobic surface: 435.724  Hydrophilic surface: 183.723
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.