Molecular Properties | |
SMILES: | O=C(CN(C(=O)Nc1cccnc1)c1ccccc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 |
MW: | 497.552 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 102.92 |
cLogP: | 2.7923 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Activated haloaromatics
Hetero_hetero
SIM-SYN-a98e6a07-1
0.600
MAC-MCD-76766525-1
0.534
MIK-MCD-9143301b-1
0.517
IND-SYN-6c8299e8-7
0.463
ZAC-MCD-b48cf8fd-1
0.460
AAR-POS-d2a4d1df-23
0.460
DAN-MCD-50ec7d1f-1
0.460
LON-WEI-8f408cad-4
0.460
MAR-TRE-6a44bbf2-18
0.460
BEN-DND-03406596-10
0.460
KEN-MCD-4729dc98-1
0.449
ASH-UNK-40b46b30-3
0.432
WIL-UNI-5578df48-3
0.430
ABB-MCD-f549d731-1
0.430
MAK-UNK-6435e6c2-5
0.414
EMI-TUK-a58865cc-7
0.412
DAN-MCD-5c762fbe-1
0.411
BEN-DND-03406596-3
0.411
BEN-DND-76ad4ac9-14
0.411
EMI-TUK-a58865cc-6
0.408
EMI-TUK-a58865cc-5
0.406
BEN-DND-03ad4429-4
0.404
MAK-MCD-586a6efd-1
0.398
MAK-UNK-009ebe36-2
0.398
BEN-DND-03ad4429-3
0.396
MAK-UNK-10dfa458-5
0.396
MAK-UNK-10dfa458-29
0.391
PEI-IMP-ca0b2813-1
0.391
EMI-TUK-a58865cc-4
0.390
MAK-UNK-009ebe36-7
0.380
WIL-UNI-5578df48-1
0.379
KEI-TRE-d5e2018a-22
0.375
WIL-UNI-5578df48-2
0.375
ALE-MCD-4ac17b19-1
0.369
PEI-IMP-ca0b2813-3
0.367
JOR-UNI-61e7b1d5-26
0.363
KEI-TRE-d5e2018a-25
0.363
MAK-UNK-f0bfc2e0-1
0.363
KEI-TRE-d5e2018a-9
0.361
JOR-UNI-2fc98d0b-10
0.360
EMI-TUK-a58865cc-3
0.360
EMI-TUK-a58865cc-1
0.359
JOR-UNI-2fc98d0b-1
0.355
JOR-UNI-2fc98d0b-3
0.355
JOR-UNI-2fc98d0b-5
0.355
JOR-UNI-2fc98d0b-11
0.355
JOR-UNI-2fc98d0b-17
0.355
JOR-UNI-61e7b1d5-28
0.354
JOR-UNI-61e7b1d5-3
0.354
JOR-UNI-61e7b1d5-30
0.354
JOR-UNI-61e7b1d5-14
0.354
JOR-UNI-61e7b1d5-5
0.354
IND-SYN-6c8299e8-2
0.354
ASH-UNK-40b46b30-9
0.353
MAR-TRE-04c86cea-46
0.352
ERI-UCB-ce40166b-23
0.352
KEI-TRE-d5e2018a-64
0.351
JOR-UNI-61e7b1d5-20
0.351
BEN-DND-76ad4ac9-6
0.351
EMI-TUK-a58865cc-2
0.350
JOR-UNI-2fc98d0b-16
0.349
JOR-UNI-2fc98d0b-6
0.348
JOR-UNI-2fc98d0b-13
0.348
JOR-UNI-2fc98d0b-14
0.348
JOR-UNI-61e7b1d5-22
0.348
JOR-UNI-61e7b1d5-24
0.348
JOR-UNI-61e7b1d5-16
0.348
ASH-UNK-40b46b30-1
0.346
KEI-TRE-d5e2018a-73
0.345
JOR-UNI-61e7b1d5-12
0.345
SAD-SAT-2fd372d1-7
0.344
DRR-IMP-dff87f5e-8
0.344
JOR-UNI-2fc98d0b-2
0.343
JOR-UNI-2fc98d0b-8
0.343
JOR-UNI-61e7b1d5-9
0.343
JOR-UNI-61e7b1d5-7
0.343
JOR-UNI-2fc98d0b-4
0.342
KEI-TRE-d5e2018a-38
0.342
JOR-UNI-2fc98d0b-15
0.342
TAT-ENA-80bfd3e5-25
0.340
MAK-UNK-7c9d1431-4
0.340
WIL-UNI-5578df48-4
0.340
MIK-MCD-8542a490-1
0.339
JOR-UNI-2fc98d0b-9
0.339
MAR-TRE-3e4e6814-80
0.339
JOR-UNI-61e7b1d5-10
0.339
MAR-TRE-6a44bbf2-21
0.337
MAK-UNK-7c9d1431-9
0.337
MAR-TRE-d0525fbf-90
0.337
SIM-SYN-a98e6a07-2
0.337
SAD-SAT-2ceae68f-1
0.336
KEI-TRE-d5e2018a-13
0.336
MAK-UNK-902cc841-7
0.336
KEI-TRE-d5e2018a-10
0.333
KEI-TRE-d5e2018a-81
0.333
KEN-MCD-6084b33e-1
0.333
MAK-UNK-7c9d1431-11
0.333
TAT-ENA-80bfd3e5-43
0.333
MAR-TRE-6a44bbf2-65
0.333
MAK-UNK-902cc841-8
0.330