Molecular Properties | |
SMILES: | CC(CSC1CCCC1)OCCN(C(=O)C1CCSc2ccc(Cl)cc21)c1cccnc1 |
MW: | 490.15 |
Fraction sp3: | 0.52 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 9 |
TPSA: | 42.43 |
cLogP: | 6.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
JAG-UCB-a3ef7265-20
MAK-UNK-d508046f-4
0.748
MAK-UNK-d508046f-17
0.737
MAK-UNK-d508046f-2
0.708
MAK-UNK-d508046f-6
0.680
MAK-UNK-d508046f-7
0.673
MAK-UNK-d508046f-18
0.670
MAK-UNK-d508046f-16
0.667
MAK-UNK-d508046f-15
0.667
MAK-UNK-d508046f-1
0.664
MAK-UNK-d508046f-20
0.631
MAK-UNK-d508046f-11
0.630
MAK-UNK-d508046f-14
0.604
MAK-UNK-d508046f-13
0.598
MAK-UNK-d508046f-9
0.596
MAK-UNK-d508046f-19
0.593
MAK-UNK-d508046f-3
0.591
MAK-UNK-d508046f-12
0.590
MAK-UNK-d508046f-8
0.587
MAK-UNK-d508046f-10
0.565
MAT-POS-78e1d523-1
0.322
JAN-GHE-83b26c96-16
0.274
SEA-TRI-8ad086cf-1
0.272
THO-SYG-f9b2970d-8
0.258
JOR-UNI-2fc98d0b-12
0.256
DAR-DIA-6a508060-16
0.254
THO-SYG-f9b2970d-3
0.252
DAR-DIA-6a508060-14
0.252
JUL-TUD-06b2044f-90
0.252
MAK-UNK-8fdbca50-30
0.252
JOR-UNI-2fc98d0b-8
0.250
MED-UNK-e6e8ef8a-4
0.250
JOR-UNI-2fc98d0b-15
0.246
THO-SYG-f9b2970d-7
0.246
THO-SYG-f9b2970d-4
0.246
KEI-TRE-d5e2018a-76
0.246
JOH-UNI-21fd6073-3
0.244
RAL-THA-9041a04d-4
0.244
MAT-POS-a54ce14d-1
0.244
RAL-THA-3d7a794f-2
0.244
JOR-UNI-2fc98d0b-17
0.244
SIM-SYN-a98e6a07-2
0.244
DAR-DIA-5ff57136-13
0.241
JOR-UNI-2fc98d0b-13
0.240
JOR-UNI-2fc98d0b-14
0.240
SIM-SYN-a98e6a07-3
0.238
JOR-UNI-2fc98d0b-16
0.238
VLA-UNK-5c5a631c-2
0.237
LON-WEI-0a73fcb8-2
0.236
ADA-UNI-f8e79267-10
0.236
PET-UNK-158bee2a-7
0.236
MAK-UNK-8fdbca50-16
0.235
JOR-UNI-2fc98d0b-3
0.234
RAL-THA-3d7a794f-3
0.234
JOR-UNI-2fc98d0b-11
0.234
MED-UNK-e6e8ef8a-5
0.234
PET-UNK-158bee2a-11
0.234
KEI-TRE-d5e2018a-54
0.234
KEI-TRE-d5e2018a-39
0.233
MAK-UNK-8fdbca50-28
0.232
MIC-SGC-657978c3-7
0.231
MAT-POS-136e7878-1
0.231
ALP-POS-902f21bb-2
0.231
EDJ-MED-51d3200d-3
0.231
JOR-UNI-2fc98d0b-6
0.231
MAR-TRE-b77b7921-77
0.230
KEI-TRE-d5e2018a-19
0.230
JOR-UNI-2fc98d0b-2
0.230
EMI-TUK-b780fc43-2
0.229
DAR-DIA-5ff57136-9
0.229
MAT-POS-9db1e783-3
0.229
ALP-POS-6495d03e-1
0.229
ALP-POS-6495d03e-4
0.229
THO-SYG-f9b2970d-6
0.229
KEI-TRE-d5e2018a-31
0.229
LON-WEI-0a73fcb8-1
0.228
TRY-UNI-9f475305-8
0.228
ADA-UNI-f8e79267-7
0.228
ADA-UCB-6c2cb422-2
0.228
VLA-UNK-5c5a631c-1
0.228
MAR-TRE-4b834d9a-79
0.227
JAN-GHE-76def03c-1
0.226
KEI-TRE-d5e2018a-47
0.226
DAR-DIA-b4e9dd8d-5
0.225
DAR-DIA-b4e9dd8d-2
0.225
DAR-DIA-b4e9dd8d-4
0.225
AAR-POS-d2a4d1df-13
0.225
ALE-HEI-f28a35b5-9
0.225
FRA-FAC-9ed5a63a-1
0.225
JOR-UNI-2fc98d0b-5
0.225
MAK-UNK-83e0a0b4-3
0.224
RAL-THA-3d7a794f-4
0.224
KEI-TRE-d5e2018a-4
0.224
KEI-TRE-d5e2018a-16
0.224
THO-SYG-f9b2970d-5
0.224
VLA-UCB-05e51b3f-4
0.224
VLA-UCB-50c39ae8-1
0.224
MAK-UNK-8fdbca50-27
0.224
MED-UNK-e6e8ef8a-1
0.223
MED-UNK-e6e8ef8a-7
0.223
KEI-TRE-d5e2018a-14
0.223