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ASINEX-ZINC03152612

 MMsINC code: MMs00287050
Type: Neutral
Formula: C14H27N3O5
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)N)CO
InChI:   InChI=1/C14H27N3O5/c1-8(2)6-9(11(15)19)16-12(20)10(7-18)17-13(21)22-14(3,4)5/h8-10,18H,6-7H2,1-5H3,(H2,15,19)(H,16,20)(H,17,21)/t9-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=57.8095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.386 g/mol  logS: -2.62957  SlogP: -0.1118  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0599912  Sterimol/B1: 2.56341  Sterimol/B2: 2.74833  Sterimol/B3: 4.21132
  Sterimol/B4: 7.3426  Sterimol/L: 16.7726 
 
 Surface and Volume Properties
  Accessible surface: 591.667  Positive charged surface: 414.733  Negative charged surface: 176.934  Volume: 309.25
  Hydrophobic surface: 298.284  Hydrophilic surface: 293.383
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.