Molecular Properties | |
SMILES: | CCC(C)(CC(F)F)OCCN(C(=O)C1CCSc2ccc(Cl)cc21)c1cccnc1 |
MW: | 468.14 |
Fraction sp3: | 0.48 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 9 |
TPSA: | 42.43 |
cLogP: | 6.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
JAG-UCB-a3ef7265-20
MAK-UNK-d508046f-17
0.713
MAK-UNK-d508046f-18
0.680
MAK-UNK-d508046f-9
0.650
MAK-UNK-d508046f-7
0.650
MAK-UNK-d508046f-15
0.644
MAK-UNK-d508046f-16
0.644
MAK-UNK-d508046f-6
0.641
MAK-UNK-d508046f-19
0.631
MAK-UNK-d508046f-5
0.630
MAK-UNK-d508046f-14
0.627
MAK-UNK-d508046f-8
0.625
MAK-UNK-d508046f-2
0.624
MAK-UNK-d508046f-20
0.624
MAK-UNK-d508046f-13
0.621
MAK-UNK-d508046f-4
0.619
MAK-UNK-d508046f-3
0.613
MAK-UNK-d508046f-1
0.586
MAK-UNK-d508046f-12
0.583
MAK-UNK-d508046f-10
0.571
MAT-POS-78e1d523-1
0.322
JAN-GHE-83b26c96-16
0.308
THO-SYG-f9b2970d-8
0.287
MAK-UNK-8fdbca50-30
0.277
JOR-UNI-2fc98d0b-8
0.270
THO-SYG-f9b2970d-4
0.265
JOR-UNI-2fc98d0b-12
0.264
THO-SYG-f9b2970d-3
0.261
SEA-TRI-8ad086cf-1
0.260
MAK-UNK-8fdbca50-16
0.259
MAK-UNK-8fdbca50-27
0.255
JOR-UNI-2fc98d0b-15
0.254
JOR-UNI-2fc98d0b-17
0.252
RAL-THA-3d7a794f-3
0.252
MAK-UNK-8fdbca50-31
0.252
JOH-UNI-a38a7bdd-8
0.250
JUL-TUD-06b2044f-90
0.250
ALP-POS-1245c3fa-2
0.248
JOR-UNI-2fc98d0b-13
0.248
MAK-UNK-8fdbca50-1
0.247
MAK-UNK-8fdbca50-34
0.247
MAK-UNK-8fdbca50-28
0.247
MIC-UNK-8686cf1d-4
0.247
LON-WEI-adc59df6-66
0.246
SIM-SYN-a98e6a07-3
0.246
MAK-UNK-8fdbca50-15
0.245
MIC-UNK-8686cf1d-8
0.245
JOR-UNI-2fc98d0b-9
0.244
THO-SYG-f9b2970d-7
0.244
LON-WEI-0a73fcb8-2
0.244
MAK-UNK-8fdbca50-14
0.243
MAK-UNK-8fdbca50-26
0.243
RAL-THA-9041a04d-4
0.242
MAT-POS-a54ce14d-1
0.242
JOR-UNI-2fc98d0b-11
0.242
KEI-TRE-d5e2018a-16
0.242
DAR-DIA-b4e9dd8d-2
0.241
DAR-DIA-b4e9dd8d-4
0.241
DAR-DIA-b4e9dd8d-5
0.241
RYA-UNI-f4a878f6-1
0.240
MAK-UNK-8fdbca50-13
0.240
MAK-UNK-8fdbca50-17
0.240
MAK-UNK-8fdbca50-40
0.240
DAR-DIA-6a508060-14
0.240
DAR-DIA-5ff57136-13
0.239
MAT-POS-136e7878-1
0.238
EMI-TUK-b780fc43-2
0.238
JOR-UNI-2fc98d0b-14
0.238
JOR-UNI-2fc98d0b-6
0.238
MIC-UNK-8686cf1d-3
0.238
JOR-UNI-2fc98d0b-2
0.237
KEI-TRE-d5e2018a-19
0.237
MIC-UNK-482af05e-1
0.237
MIC-UNK-8686cf1d-9
0.237
MAK-UNK-8fdbca50-12
0.237
PET-UNK-e8c7a26f-2
0.237
LON-WEI-0a73fcb8-1
0.236
SAD-SAT-29425be4-27
0.236
JOR-UNI-2fc98d0b-16
0.236
MAK-UNK-8fdbca50-39
0.235
MAK-UNK-8fdbca50-41
0.235
VLA-UNK-5c5a631c-1
0.234
ADA-UNI-f8e79267-10
0.233
MIC-UNK-9ffaa625-2
0.233
DAR-DIA-6a508060-16
0.233
JOH-UNI-ededfdb6-7
0.232
JOR-UNI-2fc98d0b-3
0.232
RAL-THA-3d7a794f-2
0.232
BRU-THA-92256091-83
0.231
MAK-UNK-8fdbca50-19
0.231
SIM-SYN-a98e6a07-2
0.231
MIC-UNK-8686cf1d-2
0.231
MAK-UNK-8fdbca50-11
0.230
ALP-POS-6495d03e-5
0.230
MAK-UNK-8fdbca50-2
0.230
JAN-GHE-f4ca5a00-11
0.230
MIC-UNK-9ffaa625-1
0.229
MAK-UNK-b2c98f02-8
0.229
DAR-DIA-43a5904b-14
0.229
MED-COV-4280ac29-4
0.229
MAK-UNK-8fdbca50-37
0.229