Molecular Properties | |
SMILES: | O=C(C1CCSc2ccc(Cl)cc21)N(CCOC1CCNCC1)c1cccnc1 |
MW: | 431.14 |
Fraction sp3: | 0.45 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 54.46 |
cLogP: | 4.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
JAG-UCB-a3ef7265-20
MAK-UNK-d508046f-14
0.789
MAK-UNK-d508046f-8
0.708
MAK-UNK-d508046f-19
0.698
MAK-UNK-d508046f-17
0.696
MAK-UNK-d508046f-10
0.660
MAK-UNK-d508046f-16
0.660
MAK-UNK-d508046f-6
0.657
MAK-UNK-d508046f-9
0.650
MAK-UNK-d508046f-18
0.646
MAK-UNK-d508046f-7
0.634
MAK-UNK-d508046f-15
0.627
MAK-UNK-d508046f-11
0.621
MAK-UNK-d508046f-3
0.611
MAK-UNK-d508046f-20
0.607
MAK-UNK-d508046f-5
0.598
MAK-UNK-d508046f-2
0.593
MAK-UNK-d508046f-12
0.580
MAK-UNK-d508046f-4
0.561
MAK-UNK-d508046f-1
0.557
MAT-POS-78e1d523-1
0.336
JAN-GHE-83b26c96-16
0.298
JOR-UNI-2fc98d0b-8
0.259
JOR-UNI-2fc98d0b-10
0.258
JOR-UNI-2fc98d0b-12
0.254
JOR-UNI-2fc98d0b-4
0.252
MAT-POS-a54ce14d-1
0.252
RAL-THA-9041a04d-4
0.252
SEA-TRI-8ad086cf-1
0.250
MAR-TRE-04c86cea-53
0.248
PET-UNK-e8c7a26f-2
0.248
RAL-THA-9041a04d-6
0.246
THO-SYG-f9b2970d-8
0.246
SIM-SYN-a98e6a07-3
0.246
ALP-POS-c0c213c9-10
0.244
MAK-UNK-83e0a0b4-2
0.243
MAT-POS-e69ad64a-1
0.242
JOR-UNI-2fc98d0b-17
0.242
SIM-SYN-a98e6a07-2
0.241
JUL-TUD-06b2044f-90
0.240
RAL-THA-4a5dabff-3
0.240
THO-SYG-f9b2970d-3
0.239
MAK-UNK-83e0a0b4-3
0.239
ALP-POS-1245c3fa-2
0.239
MIC-SGC-657978c3-7
0.239
DAV-CRI-1c77f7a9-4
0.238
BEN-DND-d1eb1f41-1
0.238
MIC-UNK-8686cf1d-4
0.238
JOR-UNI-2fc98d0b-13
0.238
EMI-TUK-b780fc43-2
0.238
JOR-UNI-2fc98d0b-2
0.237
PET-UNK-b1ef24dc-9
0.236
JOR-UNI-2fc98d0b-16
0.235
BEN-BAS-edf2ae6d-1
0.235
JOR-UNI-2fc98d0b-15
0.234
PET-UNK-b1ef24dc-12
0.234
LON-WEI-0a73fcb8-2
0.233
THO-SYG-f9b2970d-4
0.233
MAK-UNK-8fdbca50-30
0.232
MIC-SGC-657978c3-5
0.232
ALP-POS-c0c213c9-19
0.232
DAR-DIA-6a508060-16
0.232
ADA-UCB-b1b30a00-7
0.232
DAR-DIA-06c53477-4
0.232
ROB-UNI-569bc02e-1
0.232
DAR-DIA-06c53477-5
0.232
DAR-DIA-06c53477-6
0.232
TRY-UNI-69298daf-5
0.231
RAL-THA-3d7a794f-3
0.231
JOR-UNI-2fc98d0b-3
0.231
DAR-DIA-b4e9dd8d-5
0.231
DAR-DIA-b4e9dd8d-2
0.231
DAR-DIA-b4e9dd8d-4
0.231
JAG-UCB-a3ef7265-3
0.231
BRU-THA-92256091-3
0.230
BRU-THA-92256091-5
0.230
DAR-DIA-5a24bef0-2
0.230
JOH-UNI-a38a7bdd-8
0.230
DAR-DIA-5ff57136-13
0.229
EDG-MED-fe7487f8-4
0.229
DAR-DIA-6a508060-14
0.229
MIC-UNK-8686cf1d-3
0.229
BRU-THA-92256091-9
0.228
BRU-THA-92256091-13
0.228
JOR-UNI-2fc98d0b-14
0.228
ALP-POS-902f21bb-2
0.228
EDJ-MED-51d3200d-3
0.228
MIC-UNK-8686cf1d-8
0.228
MIC-UNK-8686cf1d-9
0.227
KIM-UNI-7d12df64-4
0.227
ROB-UNI-569bc02e-2
0.227
BRU-THA-92256091-71
0.227
DAR-DIA-5ff57136-9
0.226
DAR-DIA-5ff57136-19
0.226
MAT-POS-9db1e783-3
0.226
JAN-GHE-d851b096-2
0.226
ALP-POS-477dc5b7-2
0.226
DAV-CRI-1c77f7a9-8
0.226
ALP-POS-6495d03e-4
0.226
PET-UNK-b1ef24dc-11
0.226
EDJ-MED-92e193ae-2
0.226