Molecular Properties | |
SMILES: | O=C(C1CCSc2ccc(Cl)cc21)N(CCOC1CCOCC1)c1cccnc1 |
MW: | 432.13 |
Fraction sp3: | 0.45 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 51.66 |
cLogP: | 4.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
JAG-UCB-a3ef7265-20
MAK-UNK-d508046f-13
0.789
MAK-UNK-d508046f-19
0.705
MAK-UNK-d508046f-17
0.703
MAK-UNK-d508046f-8
0.680
MAK-UNK-d508046f-10
0.667
MAK-UNK-d508046f-16
0.667
MAK-UNK-d508046f-18
0.653
MAK-UNK-d508046f-6
0.646
MAK-UNK-d508046f-20
0.644
MAK-UNK-d508046f-9
0.640
MAK-UNK-d508046f-7
0.640
MAK-UNK-d508046f-15
0.634
MAK-UNK-d508046f-12
0.630
MAK-UNK-d508046f-11
0.627
MAK-UNK-d508046f-5
0.604
MAK-UNK-d508046f-3
0.602
MAK-UNK-d508046f-2
0.598
MAK-UNK-d508046f-4
0.595
MAK-UNK-d508046f-1
0.589
MAT-POS-78e1d523-1
0.351
JAN-GHE-83b26c96-16
0.314
MAT-POS-a54ce14d-1
0.297
RAL-THA-9041a04d-4
0.297
RAL-THA-3d7a794f-3
0.276
EDJ-MED-51d3200d-3
0.271
RAL-THA-9041a04d-6
0.269
LON-WEI-0a73fcb8-2
0.267
RAL-THA-3d7a794f-4
0.265
DAR-DIA-6a508060-16
0.264
DAR-DIA-6a508060-14
0.263
JUL-TUD-06b2044f-90
0.262
JOR-UNI-2fc98d0b-8
0.261
JOR-UNI-2fc98d0b-6
0.261
RAL-THA-b74298ba-4
0.261
ALP-POS-902f21bb-2
0.261
DAR-DIA-5ff57136-13
0.260
BEN-BAS-edf2ae6d-1
0.259
BRU-THA-92256091-84
0.259
JAG-UCB-c61058a9-36
0.259
RAL-THA-3d7a794f-1
0.259
PET-UNK-3e029fdc-1
0.259
RAL-THA-9041a04d-5
0.258
ALP-POS-6495d03e-4
0.258
RAL-THA-04c5403f-1
0.258
PET-UNK-158bee2a-7
0.257
LON-WEI-0a73fcb8-7
0.256
JOR-UNI-2fc98d0b-12
0.256
BEN-DND-a7517465-5
0.256
JOR-UNI-2fc98d0b-9
0.256
VLA-UNK-5c5a631c-2
0.256
JOR-UNI-2fc98d0b-1
0.254
RAL-THA-3d7a794f-2
0.254
MAT-POS-500f4700-1
0.254
ALP-POS-6495d03e-5
0.252
SEA-TRI-8ad086cf-1
0.252
BEN-DND-a7517465-7
0.252
MAT-POS-b3e365b9-3
0.250
NAU-LAT-b7d8c353-5
0.250
MAK-UNK-83e0a0b4-3
0.250
DAR-DIA-6a508060-6
0.250
JAN-GHE-f4ca5a00-13
0.250
BRU-CON-c4e3408a-1
0.250
PET-UNK-e8c7a26f-2
0.250
JAG-UCB-c61058a9-21
0.250
RAL-THA-9041a04d-7
0.250
MAT-POS-14f31916-4
0.250
MIC-UNK-7574fcc6-2
0.250
MAT-POS-b3e365b9-4
0.250
BRU-THA-92256091-56
0.250
VLA-UNK-4b5c0188-1
0.250
MIC-UNK-8686cf1d-4
0.248
DAR-DIA-bd041b9b-31
0.248
DAR-DIA-bd041b9b-14
0.248
JOH-UNI-ea72002d-7
0.248
RAL-THA-9041a04d-1
0.248
BEN-DND-4f474d93-2
0.248
ALP-POS-ce760d3f-3
0.248
THO-SYG-f9b2970d-8
0.248
ALP-POS-ce760d3f-7
0.248
ALP-POS-696356e4-1
0.248
EDG-MED-5d232de5-1
0.248
EDG-MED-5d232de5-2
0.248
PET-UNK-b1ef24dc-9
0.248
SIM-SYN-a98e6a07-3
0.248
LON-WEI-0a73fcb8-1
0.248
DAR-DIA-5ff57136-9
0.246
MAT-POS-9db1e783-3
0.246
JOH-UNI-f51e3bbc-4
0.246
BEN-DND-a7517465-2
0.246
RAL-THA-9041a04d-3
0.246
EDJ-MED-e9694d2b-1
0.246
NAU-LAT-b7d8c353-1
0.246
MAK-UNK-919546f0-1
0.246
MAK-UNK-f481d203-1
0.246
MAK-UNK-f481d203-2
0.246
ERI-UCB-9c7ec71b-2
0.246
ALP-POS-e980f4ea-32
0.245
VLA-UNK-5c5a631c-1
0.244
DAR-DIA-5ff57136-17
0.244
NAU-LAT-b7d8c353-6
0.244