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ASINEX-ZINC04905201

 MMsINC code: MMs00400756
Type: Ionized
Formula: C16H26N5O4+
SMILES:   O=C1N(C)C(=O)N(C)C(=O)C1=CNCC[NH+]1CCN(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/p+1

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Potential Energy
Epot(MMFF94)=34.7779 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.415 g/mol  logS: -0.66296  SlogP: -2.3526  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0360475  Sterimol/B1: 2.13264  Sterimol/B2: 4.12569  Sterimol/B3: 5.06217
  Sterimol/B4: 5.35352  Sterimol/L: 20.1123 
 
 Surface and Volume Properties
  Accessible surface: 635.851  Positive charged surface: 507.643  Negative charged surface: 128.209  Volume: 339
  Hydrophobic surface: 447.456  Hydrophilic surface: 188.395
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 1
  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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Parent related molecule:


MMs00400755
ASINEX-ZINC04905201