Molecular Properties | |
SMILES: | O=C(C1CCSc2ccc(Cl)cc21)N(CCOCCOC1CNC1)c1cccnc1 |
MW: | 447.14 |
Fraction sp3: | 0.45 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 63.69 |
cLogP: | 3.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
Unbranched chain
JAG-UCB-a3ef7265-20
MAK-UNK-d508046f-13
0.708
MAK-UNK-d508046f-18
0.684
MAK-UNK-d508046f-17
0.681
MAK-UNK-d508046f-14
0.680
MAK-UNK-d508046f-9
0.670
MAK-UNK-d508046f-7
0.653
MAK-UNK-d508046f-19
0.650
MAK-UNK-d508046f-16
0.646
MAK-UNK-d508046f-10
0.632
MAK-UNK-d508046f-3
0.630
MAK-UNK-d508046f-6
0.627
MAK-UNK-d508046f-11
0.625
MAK-UNK-d508046f-15
0.615
MAK-UNK-d508046f-20
0.611
MAK-UNK-d508046f-2
0.596
MAK-UNK-d508046f-5
0.587
MAK-UNK-d508046f-12
0.570
MAK-UNK-d508046f-1
0.560
MAK-UNK-d508046f-4
0.552
MAT-POS-78e1d523-1
0.354
JAN-GHE-83b26c96-16
0.292
ED_-GRI-5b13fbe2-62
0.290
JOR-UNI-2fc98d0b-8
0.265
MAK-UNK-8fdbca50-30
0.264
MAK-UNK-83e0a0b4-3
0.263
JOR-UNI-2fc98d0b-12
0.261
SIM-SYN-a98e6a07-2
0.259
RAL-THA-9041a04d-4
0.258
MAT-POS-a54ce14d-1
0.258
MIC-SGC-657978c3-7
0.257
SEA-TRI-8ad086cf-1
0.256
EDJ-MED-28b38b9b-2
0.256
MAK-UNK-8fdbca50-16
0.255
SIM-SYN-a98e6a07-3
0.252
THO-SYG-f9b2970d-8
0.252
MIC-UNK-cdc2493e-15
0.250
JOR-UNI-2fc98d0b-17
0.248
DAR-DIA-b4e9dd8d-5
0.246
DAR-DIA-b4e9dd8d-2
0.246
DAR-DIA-b4e9dd8d-4
0.246
JUL-TUD-06b2044f-90
0.246
THO-SYG-f9b2970d-3
0.246
ALP-POS-1245c3fa-2
0.244
EDJ-MED-28b38b9b-3
0.244
JOR-UNI-2fc98d0b-13
0.244
JOR-UNI-2fc98d0b-10
0.244
JOR-UNI-2fc98d0b-2
0.243
MAK-UNK-8fdbca50-27
0.243
DAN-PUR-3907f623-3
0.243
MIC-SGC-657978c3-8
0.243
RAL-THA-9041a04d-6
0.242
JOR-UNI-2fc98d0b-16
0.242
BEN-BAS-edf2ae6d-1
0.241
JOR-UNI-2fc98d0b-15
0.240
MAK-UNK-8fdbca50-26
0.240
THO-SYG-f9b2970d-4
0.239
MIC-SGC-657978c3-5
0.239
JOH-UNI-21fd6073-3
0.238
JAN-GHE-76def03c-1
0.238
MAT-POS-e69ad64a-1
0.238
BRU-THA-92256091-37
0.238
RAL-THA-3d7a794f-3
0.238
JOR-UNI-2fc98d0b-3
0.238
JOR-UNI-2fc98d0b-4
0.238
KEI-TRE-d5e2018a-16
0.237
NIM-UNI-bb9030bf-11
0.237
MIC-SGC-657978c3-6
0.236
KEI-TRE-d5e2018a-39
0.236
BRU-THA-92256091-5
0.236
BRU-THA-92256091-3
0.236
BRU-THA-92256091-25
0.236
DAR-DIA-6a508060-14
0.235
DAR-DIA-5ff57136-13
0.235
VLA-UNK-4b5c0188-1
0.235
MAK-UNK-8fdbca50-28
0.234
MIC-UNK-8686cf1d-4
0.234
BEN-DND-d1eb1f41-1
0.234
JOR-UNI-2fc98d0b-14
0.234
MAT-POS-3ccb8ef6-2
0.234
MAT-POS-d8472c4f-5
0.234
MAT-POS-3ccb8ef6-1
0.234
EDJ-MED-51d3200d-3
0.234
BEN-DND-f2e727cd-5
0.234
RAL-THA-ee48ba5f-6
0.234
BRU-THA-92256091-9
0.234
ALP-UNI-44c99a80-2
0.234
BRU-THA-92256091-13
0.234
EMI-TUK-b780fc43-2
0.233
NIM-UNI-bb9030bf-10
0.233
JAN-GHE-76def03c-3
0.233
BRU-THA-92256091-71
0.232
PET-UNK-e8c7a26f-2
0.232
PET-UNK-b1ef24dc-9
0.232
EDJ-MED-92e193ae-2
0.232
MIC-UNK-91acba05-5
0.232
DAR-DIA-43a5904b-13
0.232
ALP-POS-477dc5b7-2
0.232
EDJ-MED-92e193ae-1
0.232
DAR-DIA-5ff57136-9
0.232
MAT-POS-9db1e783-3
0.232