Molecular Properties | |
SMILES: | CC(CSC1CCOC1C)OCCN(C(=O)C1CCSc2ccc(Cl)cc21)c1cccnc1 |
MW: | 506.15 |
Fraction sp3: | 0.52 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 9 |
TPSA: | 51.66 |
cLogP: | 5.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
JAG-UCB-a3ef7265-20
MAK-UNK-d508046f-5
0.748
MAK-UNK-d508046f-17
0.686
MAK-UNK-d508046f-2
0.679
MAK-UNK-d508046f-1
0.667
MAK-UNK-d508046f-15
0.640
MAK-UNK-d508046f-6
0.636
MAK-UNK-d508046f-7
0.631
MAK-UNK-d508046f-16
0.624
MAK-UNK-d508046f-11
0.619
MAK-UNK-d508046f-18
0.613
MAK-UNK-d508046f-20
0.607
MAK-UNK-d508046f-14
0.595
MAK-UNK-d508046f-9
0.574
MAK-UNK-d508046f-12
0.569
MAK-UNK-d508046f-13
0.561
MAK-UNK-d508046f-19
0.557
MAK-UNK-d508046f-8
0.552
MAK-UNK-d508046f-3
0.545
MAK-UNK-d508046f-10
0.533
JOH-ILL-b8b12274-1
0.321
MAT-POS-78e1d523-1
0.305
MAK-UNK-ffc90da7-9
0.276
JAN-GHE-83b26c96-16
0.269
MAK-UNK-230cdef2-2
0.265
DAR-DIA-6a508060-16
0.259
RAL-THA-9041a04d-4
0.259
MAT-POS-a54ce14d-1
0.259
DAR-DIA-6a508060-14
0.258
SEA-TRI-8ad086cf-1
0.258
JUL-TUD-06b2044f-90
0.257
THO-SYG-f9b2970d-8
0.254
RAL-THA-3d7a794f-2
0.250
VLA-UNK-4b5c0188-1
0.246
ALP-POS-902f21bb-2
0.246
JOH-IMS-cc7b4c67-5
0.246
VLA-UNK-5c5a631c-2
0.243
MAK-UNK-f481d203-1
0.242
MAK-UNK-919546f0-1
0.242
MAK-UNK-f481d203-2
0.242
LON-WEI-0a73fcb8-2
0.242
ADA-UNI-f8e79267-10
0.242
DAR-DIA-bd041b9b-30
0.242
JOH-UNI-21fd6073-3
0.241
RAL-THA-3d7a794f-3
0.241
MAK-UNK-8fdbca50-30
0.240
SIM-SYN-a98e6a07-2
0.240
THO-SYG-f9b2970d-3
0.238
DAR-DIA-5ff57136-13
0.238
EDJ-MED-51d3200d-3
0.237
JOR-UNI-2fc98d0b-14
0.237
DAR-DIA-bd041b9b-31
0.236
JOR-UNI-2fc98d0b-8
0.236
DAR-DIA-5ff57136-16
0.236
ALP-POS-6495d03e-1
0.235
ALP-POS-6495d03e-4
0.235
SIM-SYN-a98e6a07-3
0.235
RAL-THA-9041a04d-6
0.235
MED-UNK-e6e8ef8a-4
0.235
DAR-DIA-5ff57136-9
0.235
MAT-POS-9db1e783-3
0.235
LON-WEI-0a73fcb8-1
0.235
TRY-UNI-9f475305-8
0.235
JOR-UNI-2fc98d0b-15
0.234
THO-SYG-f9b2970d-7
0.234
VLA-UNK-5c5a631c-1
0.233
ALF-EVA-07677224-4
0.233
JOR-UNI-2fc98d0b-12
0.233
KEI-TRE-d5e2018a-76
0.233
PET-UNK-158bee2a-7
0.233
THO-SYG-f9b2970d-4
0.233
ALP-POS-6495d03e-6
0.232
RAL-THA-3d7a794f-4
0.231
MAK-UNK-83e0a0b4-3
0.230
DAR-DIA-bd041b9b-11
0.230
VLA-UCB-50c39ae8-1
0.230
BEN-DND-a7517465-7
0.230
VLA-UCB-05e51b3f-4
0.230
VLA-UNK-5c5a631c-3
0.229
JAG-UCB-571deb56-5
0.229
RAL-THA-9041a04d-7
0.229
LON-WEI-0a73fcb8-5
0.228
DAR-DIA-bd041b9b-1
0.228
DAR-DIA-bd041b9b-14
0.228
JOR-UNI-2fc98d0b-6
0.228
JAG-UCB-571deb56-2
0.228
RAL-THA-b74298ba-3
0.227
MAT-POS-b3e365b9-4
0.227
VLA-UCB-05e51b3f-7
0.227
VLA-UCB-50c39ae8-4
0.227
EDG-MED-fe7487f8-9
0.227
DAR-DIA-6a508060-15
0.227
BRU-CON-c4e3408a-1
0.227
DAR-DIA-6a508060-6
0.227
JAN-GHE-f4ca5a00-13
0.227
MAT-POS-b3e365b9-3
0.227
ALP-POS-6495d03e-8
0.227
RAL-THA-9041a04d-1
0.227
DAR-DIA-5ff57136-19
0.227
THO-SYG-f9b2970d-6
0.226
RAL-THA-04c5403f-1
0.226