Molecular Properties | |
SMILES: | N#Cc1ccc(CNC(=O)N2CCN(C(=O)CCl)CC2)cc1 |
MW: | 320.78 |
Fraction sp3: | 0.4 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 76.44 |
cLogP: | 1.15088 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SWA-SYN-6423ea73-7
1.000
AAR-POS-d2a4d1df-21
0.627
MAK-UNK-6ca90168-14
0.559
DRR-IMP-38dce17f-7
0.559
MAK-UNK-987948f6-3
0.533
MAK-UNK-f983951f-23
0.518
PED-UNI-b79f0f51-2
0.478
VIK-SYN-bf9c9ac8-2
0.464
PAT-GYR-359dbb24-2
0.463
DRR-IMP-dff87f5e-9
0.455
PAT-GYR-359dbb24-1
0.455
PAT-GYR-359dbb24-4
0.429
TAM-UNI-d1c3dd9f-1
0.417
DAR-DIA-fb20be43-16
0.417
PAT-GYR-de8eec61-4
0.411
PAT-GYR-359dbb24-3
0.411
MAK-UNK-704ed37c-12
0.411
PAT-GYR-359dbb24-5
0.405
SWA-SYN-6423ea73-1
0.403
SWA-SYN-d2e6fa14-1
0.403
AHN-SAT-de2502ba-7
0.400
MAK-UNK-6ca90168-9
0.397
MAT-POS-ee51dedd-1
0.394
SAD-SAT-1b030f84-9
0.388
TAM-UNI-d1c3dd9f-12
0.388
MAK-UNK-6ca90168-18
0.386
MAK-UNK-6ca90168-17
0.386
VIK-SYN-9a3d118a-1
0.383
FAB-UNK-7ad5ab26-3
0.383
MAK-UNK-6ca90168-6
0.380
DAR-DIA-fb20be43-17
0.379
SAD-SAT-2fd372d1-2
0.377
DAR-DIA-3e9bbd81-11
0.377
MAK-UNK-10dfa458-39
0.375
PAT-GYR-de8eec61-1
0.375
TAM-UNI-d1c3dd9f-18
0.372
TAM-UNI-d1c3dd9f-17
0.372
PAU-WEI-f734c343-2
0.371
DAR-DIA-fb20be43-3
0.367
PAT-GYR-de8eec61-7
0.366
PAT-GYR-de8eec61-5
0.366
MAK-UNK-6ca90168-8
0.365
PAT-GYR-de8eec61-3
0.365
MAK-UNK-704ed37c-11
0.364
TAM-UNI-d1c3dd9f-16
0.364
MAR-TRE-6a44bbf2-92
0.362
FAB-NA_-a03f4448-1
0.361
FAB-UNK-03d90bbc-1
0.361
PAT-GYR-de8eec61-2
0.361
FAB-UNK-7ad5ab26-1
0.361
MAK-UNK-10dfa458-40
0.360
PED-UNI-a9f4e7c0-1
0.359
BRU-LEF-ae0885ba-1
0.359
PAU-UNI-52c0427f-1
0.359
DAR-DIA-fb20be43-4
0.359
SAD-SAT-f2e2579e-10
0.358
MAK-UNK-7c9d1431-29
0.354
MAT-POS-162a9720-4
0.354
MAT-POS-162a9720-5
0.353
MAR-TRE-6a44bbf2-77
0.352
PET-SGC-cb83a00c-1
0.351
PAT-GYR-de8eec61-6
0.349
MAR-TRE-6a44bbf2-61
0.348
AAR-POS-d2a4d1df-29
0.348
PED-UNI-b79f0f51-1
0.347
YOI-UNK-090ea88a-1
0.346
DAR-DIA-fb20be43-6
0.346
AAR-POS-0daf6b7e-21
0.345
FAB-UNK-7ad5ab26-2
0.344
JOH-UNI-27ac80fd-25
0.343
AAR-POS-0daf6b7e-16
0.343
MED-COV-4280ac29-6
0.343
MAK-UNK-6ca90168-5
0.342
VIK-SYN-9a3d118a-8
0.342
MAK-UNK-6ca90168-7
0.342
TAT-ENA-80bfd3e5-10
0.342
MAK-UNK-849bee6c-9
0.341
PAU-WEI-b9b69149-6
0.341
FAB-UNK-2931f40a-1
0.341
DRR-IMP-38dce17f-3
0.338
MAK-UNK-7c9d1431-24
0.338
MAK-UNK-987948f6-2
0.338
AAR-POS-0daf6b7e-18
0.338
MAK-UNK-6ca90168-10
0.338
DAV-CRI-d1e0885a-1
0.338
NIC-BIO-a68395b7-2
0.338
STE-KUL-2e0d2e88-2
0.338
STU-CHA-6cae54d3-1
0.337
PAU-WEI-b9b69149-4
0.337
MED-COV-4280ac29-34
0.337
DAR-DIA-3e9bbd81-16
0.333
MAR-TRE-6a44bbf2-7
0.333
AAR-POS-d2a4d1df-37
0.333
DRR-IMP-db50bf6e-3
0.333
MAR-TRE-14ce9fd6-62
0.333
MAK-UNK-ec98eaf6-25
0.330
MAK-UNK-af83ef51-32
0.330
PAU-WEI-b9b69149-5
0.330
MAK-UNK-849bee6c-7
0.329
NIM-UNI-43fe0159-8
0.329