Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2cccc(F)c2)C(CNCN(C(=O)Nc2cccnc2)c2ccccc2)C1 |
MW: | 575.066 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 114.95 |
cLogP: | 2.9468 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
non_ring_CH2O_acetal
het-C-het not in ring
Activated haloaromatics
acyclic N-C-N
Long aliphatic chain
Hetero_hetero
KAY-MCD-59dc2eb3-1
0.534
MIK-MCD-9143301b-1
0.500
MAK-MCD-586a6efd-1
0.423
ASH-UNK-40b46b30-3
0.421
THO-SYG-f9b2970d-2
0.371
WIL-UNI-5578df48-3
0.367
EMI-TUK-a58865cc-5
0.360
EMI-TUK-a58865cc-7
0.354
JOR-UNI-2fc98d0b-3
0.352
EMI-TUK-a58865cc-6
0.351
ZAC-MCD-b48cf8fd-1
0.351
MIK-MCD-8542a490-1
0.350
WIL-UNI-5578df48-1
0.349
JOR-UNI-2fc98d0b-16
0.347
JOR-UNI-2fc98d0b-10
0.347
JOR-UNI-2fc98d0b-14
0.347
SIM-SYN-a98e6a07-1
0.344
WIL-UNI-5578df48-2
0.343
JOR-UNI-2fc98d0b-5
0.341
JOR-UNI-2fc98d0b-4
0.341
JOR-UNI-61e7b1d5-5
0.341
JOR-UNI-61e7b1d5-26
0.339
LON-WEI-8f408cad-4
0.336
AAR-POS-d2a4d1df-23
0.336
MAR-TRE-6a44bbf2-18
0.336
BEN-DND-03406596-10
0.336
EMI-TUK-a58865cc-4
0.336
KEI-TRE-d5e2018a-25
0.336
DAN-MCD-68a9aade-1
0.336
DAN-MCD-e5161b06-1
0.336
DAN-MCD-a37c31cb-1
0.336
JOR-UNI-2fc98d0b-13
0.336
KEN-MCD-4729dc98-1
0.336
JOR-UNI-61e7b1d5-22
0.336
JOR-UNI-61e7b1d5-12
0.333
EMI-TUK-a58865cc-1
0.333
EMI-TUK-a58865cc-3
0.333
JOR-UNI-61e7b1d5-14
0.331
JOR-UNI-2fc98d0b-15
0.331
JOR-UNI-2fc98d0b-1
0.331
JOR-UNI-2fc98d0b-11
0.331
JOR-UNI-2fc98d0b-17
0.331
JOR-UNI-2fc98d0b-8
0.331
ERI-UCB-ce40166b-23
0.328
ASH-UNK-40b46b30-9
0.328
JOR-UNI-61e7b1d5-24
0.326
JOR-UNI-2fc98d0b-6
0.325
SAD-SAT-c989feaa-1
0.325
MAK-UNK-f0bfc2e0-1
0.325
EMI-TUK-a58865cc-2
0.325
THO-SYG-f9b2970d-6
0.323
ASH-UNK-40b46b30-1
0.322
MAK-UNK-3f402c2b-2
0.322
JOR-UNI-61e7b1d5-28
0.320
JOR-UNI-61e7b1d5-30
0.320
JOR-UNI-61e7b1d5-3
0.320
SAL-INS-1ea6d4ee-4
0.320
JOR-UNI-61e7b1d5-9
0.320
JOR-UNI-2fc98d0b-2
0.319
LON-WEI-120e5cf5-11
0.319
JOR-UNI-2fc98d0b-9
0.318
JOR-UNI-61e7b1d5-20
0.317
MAR-TRE-04c86cea-46
0.317
MAK-MCD-2210d2de-1
0.316
BEN-DND-76ad4ac9-14
0.316
BEN-DND-03406596-3
0.316
JOR-UNI-61e7b1d5-16
0.315
BEN-DND-03ad4429-4
0.314
MAC-MCD-4707377b-1
0.313
BEN-BAS-3b12fa42-1
0.312
JOR-UNI-2fc98d0b-12
0.312
BEN-DND-76ad4ac9-6
0.312
PAU-UNI-b33c5197-1
0.312
KEI-TRE-d5e2018a-81
0.310
JOR-UNI-61e7b1d5-7
0.309
JOR-UNI-61e7b1d5-10
0.309
ABB-MCD-f549d731-1
0.307
JOE-SYG-2c9a1216-1
0.306
WIL-UNI-5578df48-6
0.306
JOR-UNI-61e7b1d5-18
0.305
WIL-UNI-5578df48-4
0.304
BEN-DND-76ad4ac9-7
0.304
THO-SYG-f9b2970d-4
0.303
MAK-UNK-8fdbca50-5
0.303
KEI-TRE-d5e2018a-29
0.303
JOR-UNI-61e7b1d5-27
0.301
DRE-WAB-9b73098a-1
0.300
DAN-MCD-34fd4f29-1
0.300
MAR-TRE-04c86cea-35
0.298
NIM-UNI-310206f0-27
0.298
KEI-TRE-d5e2018a-19
0.298
PEI-IMP-ca0b2813-1
0.297
KEI-TRE-d5e2018a-64
0.297
SAL-INS-1ea6d4ee-3
0.297
THO-SYG-f9b2970d-5
0.295
DAN-MCD-1c3944e2-1
0.295
MAK-UNK-5d2caa6f-1
0.294
KEI-TRE-d5e2018a-13
0.294
KEI-TRE-d5e2018a-79
0.294
MAR-TRE-d0525fbf-14
0.294