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ASINEX-ZINC04905201

 MMsINC code: MMs00400755
Type: Neutral
Formula: C16H25N5O4
SMILES:   O=C1N(C)C(=O)N(C)C(=O)C1=CNCCN1CCN(CC1)C(=O)CC
InChI:   InChI=1/C16H25N5O4/c1-4-13(22)21-9-7-20(8-10-21)6-5-17-11-12-14(23)18(2)16(25)19(3)15(12)24/h11,17H,4-10H2,1-3H3

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Potential Energy
Epot(MMFF94)=44.1111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.407 g/mol  logS: -0.68735  SlogP: -0.9355  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0283058  Sterimol/B1: 2.21218  Sterimol/B2: 3.80361  Sterimol/B3: 4.90491
  Sterimol/B4: 5.37536  Sterimol/L: 19.7194 
 
 Surface and Volume Properties
  Accessible surface: 627.825  Positive charged surface: 503.041  Negative charged surface: 124.785  Volume: 332.75
  Hydrophobic surface: 466.57  Hydrophilic surface: 161.255
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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


MMs00400756
ASINEX-ZINC04905201