Molecular Properties | |
SMILES: | CC(CNCC1CCCO1)OCCN(C(=O)C1CCSc2ccc(Cl)cc21)c1cccnc1 |
MW: | 489.19 |
Fraction sp3: | 0.52 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 10 |
TPSA: | 63.69 |
cLogP: | 4.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
JAG-UCB-a3ef7265-20
MAK-UNK-d508046f-2
0.734
MAK-UNK-d508046f-17
0.680
MAK-UNK-d508046f-4
0.667
MAK-UNK-d508046f-5
0.664
MAK-UNK-d508046f-7
0.640
MAK-UNK-d508046f-16
0.633
MAK-UNK-d508046f-6
0.631
MAK-UNK-d508046f-15
0.619
MAK-UNK-d508046f-20
0.615
MAK-UNK-d508046f-18
0.593
MAK-UNK-d508046f-14
0.589
MAK-UNK-d508046f-11
0.586
MAK-UNK-d508046f-9
0.569
MAK-UNK-d508046f-12
0.565
MAK-UNK-d508046f-8
0.560
MAK-UNK-d508046f-13
0.557
MAK-UNK-d508046f-19
0.552
MAK-UNK-d508046f-3
0.540
MAK-UNK-d508046f-10
0.528
MAK-UNK-c749d764-22
0.305
MAK-UNK-ffc90da7-4
0.305
MAT-POS-78e1d523-1
0.302
MAK-UNK-230cdef2-6
0.270
LON-WEI-adc59df6-32
0.266
DAR-DIA-6a508060-14
0.266
MAK-UNK-230cdef2-3
0.264
MIC-UNK-bcd487e9-4
0.263
BAR-COM-4e090d3a-55
0.263
KEI-TRE-d5e2018a-76
0.260
MIC-UNK-cdc2493e-2
0.259
MAT-POS-a54ce14d-1
0.257
DAR-DIA-6a508060-16
0.257
RAL-THA-9041a04d-4
0.257
ALP-POS-88a7a97e-27
0.257
JAN-GHE-83b26c96-16
0.256
MAK-UNK-8fdbca50-30
0.255
JOR-UNI-2fc98d0b-12
0.250
PET-UNK-158bee2a-7
0.250
RAL-THA-3d7a794f-2
0.248
RAL-THA-3d7a794f-3
0.248
RAL-THA-3d7a794f-4
0.248
SEA-TRI-8ad086cf-1
0.246
AAR-POS-0daf6b7e-23
0.246
MAT-POS-b3e365b9-3
0.244
MAT-POS-b3e365b9-4
0.244
BRU-CON-c4e3408a-1
0.244
DAR-DIA-6a508060-6
0.244
JAN-GHE-f4ca5a00-13
0.244
JOR-UNI-2fc98d0b-8
0.244
DAR-DIA-bd041b9b-31
0.243
THO-SYG-f9b2970d-8
0.243
JUL-TUD-06b2044f-58
0.242
MAK-UNK-b1917cc8-4
0.241
JOR-UNI-2fc98d0b-15
0.241
MAT-POS-1f3c8e6f-1
0.241
PAU-UNI-6d15a9f5-1
0.241
DAR-DIA-bd041b9b-30
0.240
JOH-UNI-21fd6073-3
0.239
MAK-UNK-8fdbca50-16
0.239
JOR-UNI-2fc98d0b-17
0.239
MAT-POS-500f4700-1
0.239
SIM-SYN-a98e6a07-2
0.238
JUL-TUD-06b2044f-90
0.238
THO-SYG-f9b2970d-3
0.237
VLA-UNK-4b5c0188-1
0.236
MAR-TRE-3e4e6814-60
0.236
EDJ-MED-51d3200d-3
0.235
JOR-UNI-2fc98d0b-14
0.235
MIC-UNK-8686cf1d-3
0.235
RAL-THA-b74298ba-4
0.235
MAT-POS-136e7878-1
0.235
DAR-DIA-bd041b9b-14
0.235
RAL-THA-b74298ba-3
0.235
EDG-MED-fe7487f8-9
0.235
DAR-DIA-6a508060-15
0.235
MIC-UNK-8686cf1d-9
0.234
RAL-THA-9041a04d-6
0.234
MAT-POS-9db1e783-3
0.233
DAR-DIA-5ff57136-9
0.233
TRY-UNI-9f475305-8
0.233
JOR-UNI-2fc98d0b-16
0.233
VLA-UNK-5c5a631c-2
0.233
ADA-UCB-6c2cb422-2
0.233
JOR-UNI-2fc98d0b-9
0.232
MIC-UNK-b904ca85-1
0.232
THO-SYG-f9b2970d-7
0.232
JAG-UCB-c61058a9-44
0.231
MAK-UNK-f481d203-1
0.231
LON-WEI-0a73fcb8-6
0.231
MAK-UNK-919546f0-1
0.231
MAK-UNK-f481d203-2
0.231
LON-WEI-0a73fcb8-2
0.231
THO-SYG-f9b2970d-4
0.231
NAU-LAT-b7d8c353-6
0.231
ALP-POS-6495d03e-6
0.231
JAN-GHE-76def03c-1
0.231
JAG-UCB-c61058a9-32
0.230
ROB-UNI-569bc02e-7
0.230
JOH-IMS-65d2d0b5-1
0.230
MIC-SGC-657978c3-5
0.230