Molecular Properties | |
SMILES: | O=C(Nc1cccc(Cl)c1)Nc1cncc(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1 |
MW: | 531.997 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 111.71 |
cLogP: | 3.5937 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Activated haloaromatics
Hetero_hetero
AAR-POS-d2a4d1df-23
0.488
BEN-DND-03406596-10
0.488
LON-WEI-8f408cad-4
0.488
MAR-TRE-6a44bbf2-18
0.488
JAN-LUN-3e0f9c09-1
0.474
JAN-LUN-8953ce76-6
0.474
DAN-MCD-50ec7d1f-1
0.455
DRR-IMP-dff87f5e-8
0.444
BEN-DND-03406596-3
0.436
BEN-DND-76ad4ac9-14
0.436
KAY-MCD-59dc2eb3-1
0.430
IND-SYN-6c8299e8-7
0.429
MAK-UNK-6435e6c2-5
0.409
DAR-DIA-23aa0b97-13
0.402
BEN-DND-03ad4429-3
0.391
MAK-UNK-10dfa458-5
0.391
DAN-MCD-5c762fbe-1
0.391
MAK-UNK-10dfa458-29
0.387
BEN-DND-03ad4429-4
0.386
ZAC-MCD-b48cf8fd-1
0.383
MAK-UNK-009ebe36-2
0.381
IND-SYN-6c8299e8-2
0.378
SAD-SAT-2ceae68f-1
0.371
TAT-ENA-80bfd3e5-43
0.371
MAR-TRE-6a44bbf2-65
0.371
MAK-UNK-7c9d1431-11
0.371
DAR-DIA-23aa0b97-14
0.370
JAN-GHE-83b26c96-19
0.370
WAR-XCH-eb7b662f-7
0.370
JOR-UNI-2fc98d0b-7
0.370
MAK-UNK-7c9d1431-10
0.368
MAK-UNK-7c9d1431-4
0.364
TAT-ENA-80bfd3e5-25
0.364
SAD-SAT-135344c3-7
0.361
MAR-TRE-6a44bbf2-32
0.354
ABB-MCD-f8003a30-1
0.354
JAY-UNK-11f5bdbd-1
0.351
PEI-IMP-ca0b2813-3
0.350
BEN-DND-76ad4ac9-6
0.347
KEN-MCD-4729dc98-1
0.345
PEI-IMP-ca0b2813-1
0.344
KEN-MCD-6084b33e-1
0.343
RIT-AID-d1f3f5d2-1
0.339
JAN-LUN-8953ce76-7
0.337
JAN-LUN-3e0f9c09-4
0.337
JAN-LUN-8953ce76-1
0.337
MAK-UNK-7c9d1431-9
0.333
MAR-TRE-6a44bbf2-21
0.333
MIK-MCD-9143301b-1
0.331
MAT-POS-590ac91e-69
0.330
MAK-UNK-7c9d1431-8
0.330
MAR-TRE-6a44bbf2-26
0.330
DRR-IMP-dff87f5e-3
0.330
AAR-POS-d2a4d1df-44
0.330
MAK-UNK-009ebe36-7
0.327
MAK-UNK-902cc841-8
0.327
ALE-MCD-4ac17b19-1
0.327
MAR-TRE-6a44bbf2-58
0.326
KAY-MCD-d0fe5261-1
0.326
DRR-IMP-dff87f5e-1
0.326
PEI-IMP-ca0b2813-2
0.326
MIK-MCD-8542a490-1
0.325
TRY-UNI-714a760b-9
0.324
MAK-UNK-902cc841-7
0.321
JAN-LUN-3e0f9c09-2
0.321
JAN-LUN-8953ce76-4
0.321
MAR-TRE-6a44bbf2-3
0.320
MAC-MCD-4707377b-1
0.320
JAG-UCB-cedd89ab-8
0.320
TRY-UNI-714a760b-12
0.320
KAT-UNK-b2a0d5b1-1
0.320
SAD-SAT-bc31ec01-5
0.316
BEN-DND-03ad4429-1
0.315
MAK-UNK-de8f6d00-7
0.315
SAD-SAT-bc31ec01-4
0.313
DRR-IMP-dff87f5e-2
0.311
MAK-UNK-7c9d1431-3
0.311
BEN-DND-76ad4ac9-7
0.310
MAR-TRE-6a44bbf2-4
0.309
LON-WEI-8f408cad-2
0.309
AAR-POS-d2a4d1df-32
0.309
JAG-UCB-cedd89ab-6
0.308
SIM-SYN-a98e6a07-1
0.308
IND-SYN-6c8299e8-9
0.308
MAR-TRE-6a44bbf2-43
0.307
AHN-SAT-de2502ba-6
0.307
MAC-MCD-76766525-1
0.307
MAK-UNK-de8f6d00-2
0.306
EDJ-MED-49816e9b-1
0.304
MAK-UNK-7c9d1431-19
0.304
MAK-UNK-7264f48c-2
0.304
MAR-TRE-799db12b-34
0.303
BEN-DND-03406596-6
0.302
BEN-DND-76ad4ac9-10
0.302
SWA-SYN-6423ea73-4
0.302
SWA-SYN-d2e6fa14-4
0.302
AHN-SAT-de2502ba-5
0.301
MAK-UNK-c74072e5-9
0.301
ZAC-MCD-2bc172dc-1
0.300
AAR-UNI-c25c2f1e-46
0.300