Molecular Properties | |
SMILES: | Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 |
MW: | 398.08 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 74.76 |
cLogP: | 1.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4044065295 |
MolPort: | MolPort-001-523-031 |
Activated haloaromatics
Hetero_hetero
MAT-POS-b5746674-55
0.580
KAY-MCD-d0fe5261-1
0.528
MAR-TRE-6a44bbf2-68
0.528
AAR-POS-d2a4d1df-27
0.528
DRR-IMP-dff87f5e-1
0.528
MAR-TRE-6a44bbf2-58
0.528
MAR-LAB-efb042c5-5
0.528
MAR-LAB-ff9967db-29
0.492
SAD-SAT-2fd372d1-9
0.452
BEN-DND-03406596-8
0.443
SIM-SYN-3099a863-2
0.406
JAR-KUA-41bd5a3d-19
0.404
SIM-SYN-3099a863-3
0.384
MAT-POS-590ac91e-66
0.377
MAR-LAB-ff9967db-22
0.367
MAT-POS-b5746674-56
0.367
SAD-SAT-2fd372d1-6
0.365
SAD-SAT-9a6c5cf3-2
0.365
MAK-UNK-6435e6c2-5
0.362
ALE-MCD-a1893bfb-1
0.357
MAK-UNK-009ebe36-3
0.351
SIM-SYN-3099a863-1
0.351
BAP-BUY-55f8bcae-1
0.348
PEI-IMP-3d837503-3
0.345
MAR-TRE-6a44bbf2-78
0.344
SAD-SAT-b55127ae-5
0.344
MAK-UNK-7c9d1431-13
0.344
JAR-KUA-41bd5a3d-4
0.343
DRR-IMP-dff87f5e-3
0.333
MAK-UNK-7c9d1431-17
0.333
AAR-POS-d2a4d1df-44
0.333
DRR-IMP-dff87f5e-6
0.333
DRR-IMP-dff87f5e-7
0.328
CLI-UNI-032f7715-4
0.327
DRA-CSI-7ec17797-4
0.321
MAK-UNK-7c9d1431-22
0.318
MAK-UNK-3f402c2b-5
0.318
DAN-MCD-5c762fbe-1
0.317
MAK-UNK-6435e6c2-11
0.316
MAK-UNK-6435e6c2-10
0.316
MAK-UNK-4c6b313a-1
0.316
MAK-UNK-7c9d1431-6
0.312
MAK-UNK-c74072e5-8
0.312
DRR-IMP-dff87f5e-9
0.312
MAR-TRE-04c86cea-35
0.312
MAR-TRE-f6f5f473-23
0.312
DRA-CSI-7ec17797-18
0.310
MAT-POS-590ac91e-65
0.310
PEI-IMP-3d837503-1
0.309
MAT-POS-590ac91e-67
0.309
ABB-MCD-f8003a30-1
0.308
MAR-TRE-6a44bbf2-32
0.308
PEI-IMP-3d837503-2
0.300
MAT-POS-590ac91e-59
0.298
MAT-POS-590ac91e-60
0.298
MAK-UNK-10dfa458-5
0.297
AAR-POS-d2a4d1df-23
0.297
BEN-DND-03ad4429-3
0.297
DAN-MCD-50ec7d1f-1
0.297
MAR-TRE-6a44bbf2-18
0.297
BEN-DND-03406596-10
0.297
LON-WEI-8f408cad-4
0.297
MAT-POS-590ac91e-56
0.296
MAR-TRE-6a44bbf2-21
0.295
MAK-UNK-7c9d1431-9
0.295
PEI-IMP-3d837503-4
0.295
NAU-LAT-f723e322-6
0.293
ALE-MCD-4ac17b19-1
0.293
MAT-POS-b5746674-21
0.293
MAR-TRE-6a44bbf2-26
0.292
MAK-UNK-10dfa458-29
0.292
GIA-UNK-595fac82-4
0.292
MAK-UNK-7c9d1431-8
0.292
SAD-SAT-1f400d17-2
0.290
BEN-DND-03ad4429-1
0.288
MAK-UNK-7c9d1431-10
0.288
ANT-OPE-7824651a-2
0.288
MAR-TRE-fd17a9b8-74
0.288
SAL-INS-1ea6d4ee-1
0.287
WAR-XCH-b6889685-15
0.286
PEI-IMP-ca0b2813-2
0.286
PEI-IMP-3d837503-5
0.286
MAR-TRE-6a44bbf2-89
0.286
SAD-SAT-2fd372d1-3
0.286
SAD-SAT-f2e2579e-5
0.284
MAK-UNK-6435e6c2-6
0.283
WAR-XCH-b72a1bbc-43
0.282
MAT-POS-590ac91e-57
0.280
DRA-CSI-7ec17797-19
0.280
WAR-XCH-b6889685-57
0.279
WAR-XCH-b6889685-4
0.278
MAK-UNK-df1a028e-5
0.278
ANT-OPE-7824651a-1
0.278
WAR-XCH-b6889685-5
0.278
WIL-UNI-1faa9b10-20
0.277
KEN-MCD-6084b33e-1
0.275
SAD-SAT-bc31ec01-9
0.274
GIA-UNK-eaadd1d4-2
0.273
SEL-UNI-c5c112eb-2
0.272
GIA-UNK-5ec6c2b8-4
0.271