Molecular Properties | |
SMILES: | O=C(C1CN(c2ccccc2)C(=O)N(c2cccnc2)C1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 |
MW: | 523.59 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 94.13 |
cLogP: | 2.8166 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Activated haloaromatics
Hetero_hetero
ZAC-MCD-b48cf8fd-1
0.629
MAK-UNK-6435e6c2-5
0.450
KAY-MCD-59dc2eb3-1
0.449
DAN-MCD-50ec7d1f-1
0.446
BEN-DND-03ad4429-3
0.429
MAR-TRE-6a44bbf2-18
0.429
BEN-DND-03406596-10
0.429
LON-WEI-8f408cad-4
0.429
DAN-MCD-5c762fbe-1
0.429
MAK-UNK-10dfa458-5
0.429
AAR-POS-d2a4d1df-23
0.429
MAK-UNK-10dfa458-29
0.424
BEN-DND-03ad4429-4
0.419
DAR-DIA-fc970077-10
0.410
DAR-DIA-fc970077-1
0.407
IND-SYN-6c8299e8-7
0.404
BEN-DND-03406596-3
0.396
BEN-DND-76ad4ac9-14
0.396
DAR-DIA-fc970077-6
0.393
BEN-DND-76ad4ac9-6
0.379
MIK-MCD-9143301b-1
0.374
BEN-DND-03ad4429-1
0.361
PEI-IMP-ca0b2813-1
0.360
MAK-UNK-902cc841-7
0.359
ANT-OPE-7824651a-2
0.356
SIM-SYN-a98e6a07-5
0.347
ABB-MCD-f549d731-1
0.345
MAK-UNK-902cc841-8
0.340
SIM-SYN-a98e6a07-6
0.337
MAC-MCD-76766525-1
0.336
MAR-TRE-3159af1a-61
0.333
BEN-DND-03ad4429-2
0.333
MAC-MCD-4707377b-1
0.333
MIK-MCD-8542a490-1
0.324
MAK-MCD-5988fef6-1
0.324
PEI-IMP-ca0b2813-3
0.323
IND-SYN-6c8299e8-2
0.323
KEI-TRE-d5e2018a-22
0.320
MAK-UNK-009ebe36-2
0.317
DAR-DIA-fc970077-7
0.316
KEN-MCD-6084b33e-1
0.316
MAR-TRE-3159af1a-32
0.315
MAK-UNK-009ebe36-7
0.315
MAT-POS-590ac91e-57
0.315
DRR-IMP-dff87f5e-8
0.312
MAR-TRE-04c86cea-46
0.311
TAT-ENA-80bfd3e5-25
0.309
MAK-UNK-7c9d1431-4
0.309
KEI-TRE-d5e2018a-9
0.308
RAI-NOV-c18e0037-6
0.308
SIM-SYN-a98e6a07-1
0.306
MAR-TRE-d0525fbf-90
0.306
KEI-TRE-d5e2018a-73
0.306
DAR-DIA-fc970077-4
0.305
DAR-DIA-fc970077-5
0.304
PEI-IMP-3d837503-4
0.303
MAR-TRE-6a44bbf2-21
0.303
MAK-UNK-7c9d1431-9
0.303
MAK-UNK-3f402c2b-2
0.303
MAT-POS-590ac91e-56
0.303
ERI-UCB-ce40166b-24
0.303
MAK-UNK-7c9d1431-11
0.302
DAR-DIA-fc970077-8
0.302
MAR-TRE-6a44bbf2-65
0.302
TAT-ENA-80bfd3e5-43
0.302
ALE-MCD-4ac17b19-1
0.301
SAD-SAT-9a6c5cf3-10
0.298
DAR-DIA-fc970077-2
0.298
MAR-TRE-6a44bbf2-32
0.298
ABB-MCD-f8003a30-1
0.298
MAT-POS-590ac91e-69
0.295
SAD-SAT-9a6c5cf3-6
0.294
MAR-TRE-74c6519b-66
0.293
EMI-TUK-6c6b371f-1
0.293
EMI-TUK-b780fc43-1
0.293
PEI-IMP-3d837503-2
0.292
DAR-DIA-fc970077-11
0.292
DAR-DIA-fc970077-12
0.292
GIA-UNK-eaadd1d4-3
0.292
KEI-TRE-d5e2018a-38
0.291
ANT-OPE-7824651a-1
0.290
SIM-SYN-3099a863-3
0.290
MAR-TRE-04c86cea-35
0.290
SAD-SAT-9a6c5cf3-5
0.288
PEI-IMP-ca0b2813-4
0.288
MAK-UNK-702fb7d3-9
0.285
JAG-SYN-9c2cd0bd-12
0.284
MAK-UNK-7c9d1431-10
0.284
ALE-MCD-a1893bfb-1
0.284
MAK-MCD-586a6efd-1
0.284
SAD-SAT-f2e2579e-7
0.283
MAK-UNK-702fb7d3-14
0.283
SAD-SAT-f2e2579e-5
0.282
KEI-TRE-d5e2018a-10
0.280
MAR-TRE-f5c2d31c-79
0.280
JAY-UNK-11f5bdbd-1
0.280
MAR-TRE-fd17a9b8-56
0.279
MAR-TRE-2fd8122f-13
0.279
MAR-TRE-2fd8122f-33
0.278
MAR-TRE-3159af1a-67
0.278