Molecular Properties | |
SMILES: | O=C(C1CCSc2ccc(Cl)cc21)N(CCOC1CNc2ccccc21)c1cccnc1 |
MW: | 465.13 |
Fraction sp3: | 0.28 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 54.46 |
cLogP: | 5.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
JAG-UCB-a3ef7265-20
MAK-UNK-d508046f-14
0.667
MAK-UNK-d508046f-13
0.660
MAK-UNK-d508046f-19
0.638
MAK-UNK-d508046f-17
0.634
MAK-UNK-d508046f-8
0.632
MAK-UNK-d508046f-16
0.619
MAK-UNK-d508046f-6
0.617
MAK-UNK-d508046f-15
0.606
MAK-UNK-d508046f-9
0.596
MAK-UNK-d508046f-18
0.593
MAK-UNK-d508046f-7
0.582
MAK-UNK-d508046f-11
0.571
MAK-UNK-d508046f-5
0.565
MAK-UNK-d508046f-12
0.550
MAK-UNK-d508046f-2
0.547
MAK-UNK-d508046f-20
0.547
MAK-UNK-d508046f-3
0.538
MAK-UNK-d508046f-4
0.533
MAK-UNK-d508046f-1
0.528
MAT-POS-78e1d523-1
0.356
DAR-DIA-b4e9dd8d-2
0.289
DAR-DIA-b4e9dd8d-4
0.289
DAR-DIA-b4e9dd8d-5
0.289
JAN-GHE-83b26c96-16
0.274
MAT-POS-a54ce14d-1
0.264
RAL-THA-9041a04d-4
0.264
DAV-CRI-1c77f7a9-4
0.260
MAK-UNK-83e0a0b4-3
0.259
EDJ-MED-92e193ae-1
0.258
MIC-UNK-91acba05-5
0.258
DAR-DIA-5a24bef0-5
0.258
PET-UNK-b1ef24dc-9
0.258
EDJ-MED-92e193ae-2
0.258
ALP-POS-477dc5b7-2
0.258
MAT-POS-9db1e783-3
0.255
DAR-DIA-5ff57136-9
0.255
SIM-SYN-a98e6a07-2
0.254
MAR-UCB-6ab2ec87-1
0.254
MAT-POS-e69ad64a-1
0.254
DAR-DIA-6a508060-14
0.252
DAR-DIA-5a24bef0-2
0.252
MIC-UNK-bcd487e9-4
0.250
ADA-UCB-dc2b944c-6
0.250
DAR-DIA-5ff57136-13
0.250
JOR-UNI-2fc98d0b-8
0.250
VLA-UNK-5c5a631c-2
0.246
LON-WEI-0a73fcb8-2
0.246
JOR-UNI-2fc98d0b-12
0.246
JOH-UNI-21fd6073-3
0.244
MAT-POS-b5746674-1
0.244
PET-UNK-e274cad4-9
0.244
DAR-DIA-6a508060-16
0.244
RAL-THA-3d7a794f-2
0.244
RAL-THA-3d7a794f-3
0.244
DAR-DIA-b4e9dd8d-3
0.243
DAR-DIA-b4e9dd8d-6
0.243
DAR-DIA-b4e9dd8d-1
0.243
SEA-TRI-8ad086cf-1
0.242
VLA-UNK-4b5c0188-1
0.241
BEN-DND-d1eb1f41-1
0.241
NAU-LAT-b7d8c353-5
0.241
ALP-POS-902f21bb-2
0.240
EDJ-MED-51d3200d-3
0.240
ALP-POS-477dc5b7-1
0.240
MIC-UNK-91acba05-4
0.240
JOR-UNI-2fc98d0b-2
0.240
ALP-UNI-44c99a80-2
0.239
DAV-CRI-1c77f7a9-8
0.238
ALP-POS-6495d03e-4
0.238
JOH-UNI-f51e3bbc-1
0.238
SIM-SYN-a98e6a07-3
0.238
PET-UNK-b1ef24dc-11
0.238
EDJ-MED-ba7e64f2-2
0.238
RAL-THA-04c5403f-1
0.238
RAL-THA-9041a04d-6
0.238
MIC-UNK-bcd487e9-3
0.238
VLA-UCB-50c39ae8-4
0.238
VLA-UCB-05e51b3f-7
0.238
DAR-DIA-5ff57136-19
0.238
BEN-BAS-edf2ae6d-1
0.238
MIC-UNK-cdc2493e-15
0.237
VLA-UCB-05e51b3f-9
0.237
VLA-UCB-50c39ae8-6
0.237
PET-UNK-b1ef24dc-10
0.237
RAL-THA-9041a04d-3
0.237
PET-UNK-b1ef24dc-12
0.237
VLA-UNK-5c5a631c-1
0.236
THO-SYG-f9b2970d-4
0.236
DAR-DIA-5ff57136-17
0.236
MAR-TRE-92684b97-61
0.235
MIC-UNK-bcd487e9-2
0.235
DAR-DIA-06c53477-5
0.235
DAR-DIA-06c53477-6
0.235
DAR-DIA-06c53477-4
0.235
MAT-POS-500f4700-1
0.234
DAV-CRI-1c77f7a9-1
0.234
JOR-UNI-2fc98d0b-17
0.234
RAL-THA-3d7a794f-4
0.234
MIC-UNK-ea4eb352-4
0.233
DAR-DIA-6a49afbe-10
0.233