Molecular Properties | |
SMILES: | NC(=O)c1ccc2ccc(CC(=O)N3CCN(C(=O)CCl)CC3)nc2c1 |
MW: | 374.828 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 96.6 |
cLogP: | 0.7858 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-20
IAN-BAS-44680fdf-1
0.407
MAK-UNK-704ed37c-11
0.367
DRR-IMP-db50bf6e-3
0.357
DRR-IMP-db50bf6e-2
0.351
MAK-UNK-987948f6-2
0.343
MAK-UNK-6ca90168-10
0.342
AHN-SAT-de2502ba-7
0.342
MAK-UNK-6ca90168-9
0.342
SAD-SAT-1b030f84-9
0.339
ASH-SAT-43770c7d-10
0.338
AAR-POS-d2a4d1df-25
0.333
AHN-SAT-de2502ba-8
0.333
MAK-UNK-6ca90168-20
0.333
DRR-IMP-db50bf6e-1
0.333
JAY-UNK-11f5bdbd-1
0.329
MAK-UNK-6ca90168-18
0.323
MAK-UNK-987948f6-3
0.320
MAK-UNK-6ca90168-15
0.320
DRR-IMP-38dce17f-5
0.320
SAD-SAT-581007d4-5
0.316
SAD-SAT-3a925b8b-5
0.315
SEL-UNI-cd366922-7
0.314
JAN-GHE-1d98ec1c-5
0.314
DRR-IMP-dff87f5e-2
0.313
MAK-UNK-7c9d1431-3
0.313
SAD-SAT-581007d4-6
0.312
MAK-UNK-6ca90168-1
0.312
MAR-TRE-6a44bbf2-41
0.312
MAR-TRE-6a44bbf2-78
0.312
SAD-SAT-3a925b8b-3
0.312
MAK-UNK-7c9d1431-13
0.312
AAR-POS-0daf6b7e-16
0.311
NAU-LAT-64f4b287-3
0.310
DAV-CRI-d1e0885a-1
0.309
LON-WEI-8f408cad-7
0.307
MAK-UNK-212f693e-8
0.307
AAR-POS-0daf6b7e-13
0.307
AAR-POS-0daf6b7e-21
0.306
GIA-UNK-a79af1bc-1
0.304
MIH-UNI-e573136b-4
0.303
MAK-UNK-704ed37c-12
0.303
SAD-SAT-bc31ec01-5
0.303
DRR-IMP-dff87f5e-3
0.303
AAR-POS-d2a4d1df-44
0.303
MED-COV-dea4df70-1
0.302
MAK-UNK-7c9d1431-29
0.301
NIR-THE-0d6461ce-5
0.300
KAY-MCD-d0fe5261-1
0.299
DRR-IMP-dff87f5e-1
0.299
MAR-TRE-6a44bbf2-58
0.299
MAT-POS-ee51dedd-2
0.299
PEI-IMP-ca0b2813-2
0.299
SAD-SAT-1b030f84-8
0.299
AAR-POS-d2a4d1df-29
0.297
MAR-TRE-6a44bbf2-61
0.297
SAD-SAT-3a925b8b-4
0.297
PAU-UNI-8cdd41c7-1
0.297
DRR-IMP-38dce17f-6
0.297
SWA-SYN-6423ea73-7
0.296
SWA-SYN-d2e6fa14-7
0.296
MED-COV-4280ac29-35
0.295
MED-COV-4280ac29-6
0.295
SWA-SYN-6423ea73-1
0.295
MAR-TRE-6a44bbf2-28
0.295
MAK-UNK-7c9d1431-23
0.295
SWA-SYN-d2e6fa14-1
0.295
SAD-SAT-3a925b8b-6
0.295
JOH-UNI-27ac80fd-25
0.293
SAD-SAT-1b030f84-5
0.293
MAR-TRE-6a44bbf2-18
0.291
BEN-DND-03406596-10
0.291
AAR-POS-d2a4d1df-23
0.291
KAI-MCD-cb49037b-1
0.291
SAD-SAT-5b1897b2-2
0.291
NEH-REV-107bcf72-5
0.291
DRR-IMP-38dce17f-2
0.291
LON-WEI-8f408cad-4
0.291
MAK-UNK-704ed37c-13
0.290
VIK-SYN-bf9c9ac8-2
0.290
SAD-SAT-65574d3f-9
0.289
JON-UIO-066ce08b-3
0.289
MAR-TRE-6a44bbf2-21
0.289
AAR-POS-0daf6b7e-18
0.289
MAK-UNK-7c9d1431-9
0.289
SAD-SAT-5b1897b2-3
0.289
MAR-TRE-6a44bbf2-65
0.289
TAT-ENA-80bfd3e5-43
0.289
MAK-UNK-7c9d1431-11
0.289
MAK-UNK-7c9d1431-19
0.289
YOI-UNK-090ea88a-1
0.289
MAK-UNK-6ca90168-16
0.288
MAK-UNK-987948f6-5
0.288
DRR-IMP-38dce17f-3
0.288
VIK-SYN-bf9c9ac8-7
0.288
VIK-SYN-9a3d118a-4
0.288
MAR-TRE-6a44bbf2-87
0.288
MAK-UNK-7c9d1431-24
0.288
VIK-SYN-bf9c9ac8-6
0.287
MAK-UNK-7c9d1431-8
0.287
VIK-SYN-9a3d118a-2
0.287