Type: Ionized
Formula: C16H13FNO3S-
| SMILES: |
s1c2c(CCCC2)c(C(=O)[O-])c1NC(=O)c1ccccc1F |
| InChI: |
InChI=1/C16H14FNO3S/c17-11-7-3-1-5-9(11)14(19)18-15-13(16(20)21)10-6-2-4-8-12(10)22-15/h1,3,5,7H,2,4,6,8H2,(H,18,19)(H,20,21)/p-1 |
MOE's Descriptors
| Physical Properties | | | |
| Molecular Weight: 318.348 g/mol | logS: -4.93352 | SlogP: 2.38174 | Reactive groups: 0 |
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| Topological Properties | | | |
| Globularity: 0.0280046 | Sterimol/B1: 2.28056 | Sterimol/B2: 3.49933 | Sterimol/B3: 3.78012 |
| Sterimol/B4: 5.25539 | Sterimol/L: 16.0708 | | | |
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| Surface and Volume Properties | | | |
| Accessible surface: 510.867 | Positive charged surface: 287.231 | Negative charged surface: 223.636 | Volume: 273.75 |
| Hydrophobic surface: 406.728 | Hydrophilic surface: 104.139 | | |
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| Pharmacophoric Properties | | | |
| Hydrogen bond donors: 1 | Hydrogen bond acceptors: 1 | Acid groups: 2 | 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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