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MAYBRIDGE-ZINC04287469

 MMsINC code: MMs02162917
Type: Neutral
Formula: C10H18N2O
SMILES:   O=C(N1CCCC1)C1NCCCC1
InChI:   InChI=1/C10H18N2O/c13-10(12-7-3-4-8-12)9-5-1-2-6-11-9/h9,11H,1-8H2/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=30.4468 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.267 g/mol  logS: -0.73059  SlogP: 0.7509  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113183  Sterimol/B1: 2.20786  Sterimol/B2: 2.94235  Sterimol/B3: 3.75849
  Sterimol/B4: 5.21226  Sterimol/L: 12.4059 
 
 Surface and Volume Properties
  Accessible surface: 394.723  Positive charged surface: 319.807  Negative charged surface: 74.9161  Volume: 192.375
  Hydrophobic surface: 340.836  Hydrophilic surface: 53.887
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs02162918
MAYBRIDGE-ZINC04287469