Type: Neutral
Formula: C19H28N2O3S
SMILES: |
S(=O)(=O)(NCC)c1ccc(cc1)CCC(=O)NCCC=1CCCCC=1 |
InChI: |
InChI=1/C19H28N2O3S/c1-2-21-25(23,24)18-11-8-17(9-12-18)10-13-19(22)20-15-14-16-6-4-3-5-7-16/h6,8-9,11-12,21H,2-5,7,10,13-15H2,1H3,(H,20,22) |
MOE's Descriptors
Physical Properties | | | |
Molecular Weight: 364.51 g/mol | logS: -3.60694 | SlogP: 2.92407 | Reactive groups: 0 |
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Topological Properties | | | |
Globularity: 0.0258947 | Sterimol/B1: 2.4459 | Sterimol/B2: 2.63153 | Sterimol/B3: 5.11942 |
Sterimol/B4: 5.5399 | Sterimol/L: 22.7173 | | | |
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Surface and Volume Properties | | | |
Accessible surface: 675.583 | Positive charged surface: 455.695 | Negative charged surface: 219.889 | Volume: 358.875 |
Hydrophobic surface: 510.289 | Hydrophilic surface: 165.294 | | |
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Pharmacophoric Properties | | | |
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 0 |
Chiral centers: 0 | | | |
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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. | | | |