Molecular Properties | |
SMILES: | COC1CCN(C(C)COCCN(C(=O)C2CCSc3ccc(Cl)cc32)c2cccnc2)CC1 |
MW: | 503.2 |
Fraction sp3: | 0.54 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 9 |
TPSA: | 54.9 |
cLogP: | 4.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
JAG-UCB-a3ef7265-20
MAK-UNK-d508046f-18
0.667
MAK-UNK-d508046f-17
0.663
MAK-UNK-d508046f-8
0.630
MAK-UNK-d508046f-9
0.624
MAK-UNK-d508046f-7
0.624
MAK-UNK-d508046f-6
0.615
MAK-UNK-d508046f-11
0.613
MAK-UNK-d508046f-13
0.611
MAK-UNK-d508046f-14
0.602
MAK-UNK-d508046f-16
0.602
MAK-UNK-d508046f-5
0.591
MAK-UNK-d508046f-15
0.589
MAK-UNK-d508046f-20
0.586
MAK-UNK-d508046f-19
0.577
MAK-UNK-d508046f-2
0.573
MAK-UNK-d508046f-12
0.562
MAK-UNK-d508046f-4
0.545
MAK-UNK-d508046f-1
0.540
MAK-UNK-d508046f-10
0.538
MAT-POS-78e1d523-1
0.304
THO-SYG-f9b2970d-3
0.298
THO-SYG-f9b2970d-8
0.291
THO-SYG-f9b2970d-4
0.281
THO-SYG-f9b2970d-7
0.269
JAN-GHE-83b26c96-16
0.267
JUL-TUD-06b2044f-90
0.265
MAK-UNK-8fdbca50-30
0.264
MAK-UNK-230cdef2-10
0.261
JOH-IMS-7e73aedd-1
0.259
JOH-UNI-ededfdb6-7
0.255
MAK-UNK-8fdbca50-16
0.255
SIM-SYN-a98e6a07-3
0.252
SEA-TRI-8ad086cf-1
0.246
JOR-UNI-2fc98d0b-15
0.241
MAT-POS-a54ce14d-1
0.239
RAL-THA-9041a04d-4
0.239
RAL-THA-3d7a794f-2
0.238
JOR-UNI-2fc98d0b-17
0.238
RAL-THA-3d7a794f-3
0.238
SIM-SYN-a98e6a07-2
0.238
DAR-DIA-5a24bef0-2
0.237
MAK-UNK-8fdbca50-34
0.236
MAK-UNK-8fdbca50-27
0.235
MAK-UNK-8fdbca50-28
0.235
JOR-UNI-2fc98d0b-14
0.235
JOR-UNI-2fc98d0b-13
0.235
JOH-UNI-ededfdb6-3
0.234
EMI-TUK-b780fc43-2
0.234
JOR-UNI-2fc98d0b-8
0.234
JOR-UNI-2fc98d0b-16
0.233
MAK-UNK-8fdbca50-14
0.232
MAK-UNK-8fdbca50-31
0.232
MAK-UNK-8fdbca50-39
0.232
JOH-UNI-ededfdb6-8
0.231
JOR-UNI-2fc98d0b-12
0.231
JAN-GHE-76def03c-1
0.230
MAR-TRE-fd17a9b8-92
0.230
JAG-UCB-c61058a9-32
0.230
MAK-UNK-8fdbca50-13
0.229
JOR-UNI-2fc98d0b-11
0.229
JOR-UNI-2fc98d0b-3
0.229
JOR-UNI-2fc98d0b-5
0.229
MAK-UNK-8fdbca50-19
0.229
KEI-TRE-d5e2018a-16
0.228
KEI-TRE-d5e2018a-54
0.228
KEI-TRE-d5e2018a-39
0.228
MAK-UNK-8fdbca50-1
0.228
JOH-UNI-ededfdb6-6
0.228
MAK-UNK-8fdbca50-2
0.227
BEN-DND-d1eb1f41-1
0.226
EDJ-MED-51d3200d-3
0.226
JOR-UNI-2fc98d0b-10
0.226
KIM-UNI-7d12df64-4
0.225
MAK-UNK-8fdbca50-26
0.224
RAL-THA-9041a04d-6
0.224
THO-SYG-f9b2970d-6
0.224
MAT-POS-4223bc15-28
0.224
KEI-TRE-d5e2018a-31
0.224
PET-UNK-e8c7a26f-2
0.223
MAR-TRE-4b834d9a-79
0.222
JOH-UNI-21fd6073-3
0.221
MAT-POS-e69ad64a-1
0.221
LON-WEI-0a73fcb8-2
0.221
MAK-UNK-8fdbca50-17
0.221
JOH-UNI-ededfdb6-1
0.221
EDJ-MED-28b38b9b-2
0.221
JOR-UNI-2fc98d0b-4
0.220
MIC-UNK-8686cf1d-4
0.219
PET-UNK-158bee2a-11
0.219
RAL-THA-3d7a794f-4
0.219
MAK-UNK-8fdbca50-12
0.219
MAK-UNK-8fdbca50-15
0.219
MAK-UNK-8fdbca50-37
0.219
JOH-UNI-ededfdb6-5
0.218
DAR-DIA-bd041b9b-14
0.218
DAR-DIA-6a508060-14
0.217
THO-SYG-f9b2970d-1
0.217
MAT-POS-4223bc15-24
0.217
BEN-DND-f06bfa8e-7
0.217
RAL-THA-4aa06b95-7
0.217