Molecular Properties | |
SMILES: | CC(C)OCCN(C(=O)C1CCSc2ccc(Cl)cc21)c1cccnc1 |
MW: | 390.12 |
Fraction sp3: | 0.4 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 42.43 |
cLogP: | 4.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
JAG-UCB-a3ef7265-20
MAK-UNK-d508046f-7
0.828
MAK-UNK-d508046f-16
0.802
MAK-UNK-d508046f-6
0.795
MAK-UNK-d508046f-15
0.778
MAK-UNK-d508046f-18
0.744
MAK-UNK-d508046f-5
0.737
MAK-UNK-d508046f-2
0.729
MAK-UNK-d508046f-20
0.729
MAK-UNK-d508046f-11
0.713
MAK-UNK-d508046f-14
0.703
MAK-UNK-d508046f-13
0.696
MAK-UNK-d508046f-9
0.691
MAK-UNK-d508046f-19
0.688
MAK-UNK-d508046f-4
0.686
MAK-UNK-d508046f-8
0.681
MAK-UNK-d508046f-1
0.680
MAK-UNK-d508046f-3
0.663
MAK-UNK-d508046f-12
0.644
MAK-UNK-d508046f-10
0.634
MAT-POS-78e1d523-1
0.355
JAN-GHE-83b26c96-16
0.316
THO-SYG-f9b2970d-8
0.292
THO-SYG-f9b2970d-3
0.287
JOR-UNI-2fc98d0b-8
0.286
THO-SYG-f9b2970d-4
0.280
MAK-UNK-8fdbca50-30
0.280
JOR-UNI-2fc98d0b-12
0.279
SEA-TRI-8ad086cf-1
0.274
KEI-TRE-d5e2018a-76
0.269
THO-SYG-f9b2970d-7
0.267
JOR-UNI-2fc98d0b-15
0.267
SIM-SYN-a98e6a07-2
0.267
EMI-TUK-b780fc43-2
0.266
JOR-UNI-2fc98d0b-17
0.265
MAT-POS-a54ce14d-1
0.265
RAL-THA-9041a04d-4
0.265
DAR-DIA-6a508060-14
0.264
JUL-TUD-06b2044f-90
0.262
KEI-TRE-d5e2018a-19
0.262
JOR-UNI-2fc98d0b-2
0.262
MAK-UNK-8fdbca50-16
0.261
JOR-UNI-2fc98d0b-13
0.261
JOR-UNI-2fc98d0b-14
0.261
JOR-UNI-2fc98d0b-16
0.259
SIM-SYN-a98e6a07-3
0.259
ADA-UNI-f8e79267-10
0.257
KEI-TRE-d5e2018a-47
0.257
KEI-TRE-d5e2018a-16
0.255
RAL-THA-3d7a794f-3
0.254
JOR-UNI-2fc98d0b-3
0.254
JOR-UNI-2fc98d0b-11
0.254
RAL-THA-3d7a794f-2
0.254
DAR-DIA-6a508060-16
0.254
JOH-UNI-21fd6073-3
0.254
KEI-TRE-d5e2018a-39
0.252
MAK-UNK-8fdbca50-13
0.250
PET-UNK-e8c7a26f-2
0.250
MIC-UNK-8686cf1d-4
0.248
MAK-UNK-8fdbca50-27
0.248
MAK-UNK-8fdbca50-28
0.248
ADA-UNI-f8e79267-7
0.248
ADA-UCB-6c2cb422-2
0.248
MAR-TRE-4b834d9a-79
0.246
LON-WEI-0a73fcb8-2
0.246
MED-UNK-e6e8ef8a-1
0.245
MAK-UNK-8fdbca50-31
0.245
MAK-UNK-8fdbca50-14
0.245
JOR-UNI-2fc98d0b-5
0.243
KEI-TRE-d5e2018a-54
0.243
MAR-TRE-04c86cea-17
0.243
RAL-THA-3d7a794f-4
0.243
JOH-UNI-ededfdb6-7
0.242
JAN-GHE-f4ca5a00-11
0.241
LON-WEI-0a73fcb8-5
0.241
MIC-SGC-657978c3-7
0.240
DAR-DIA-5ff57136-13
0.240
MAK-UNK-8fdbca50-1
0.239
MAK-UNK-8fdbca50-34
0.239
JOR-UNI-2fc98d0b-10
0.239
ALP-POS-902f21bb-2
0.239
EDJ-MED-51d3200d-3
0.239
MAT-POS-136e7878-1
0.239
JOR-UNI-2fc98d0b-6
0.239
ERI-UCB-ce40166b-23
0.239
MIC-UNK-8686cf1d-3
0.239
KEI-TRE-d5e2018a-99
0.238
MAR-TRE-67513f76-32
0.238
MAK-UNK-8fdbca50-15
0.238
DAN-PUR-3907f623-3
0.238
MED-UNK-e6e8ef8a-4
0.238
WIL-UNI-5578df48-8
0.238
THO-SYG-f9b2970d-6
0.237
RAL-THA-9041a04d-6
0.237
CHR-SOS-7098f804-12
0.237
TRY-UNI-9f475305-8
0.237
LON-WEI-0a73fcb8-1
0.237
BEN-BAS-edf2ae6d-1
0.236
VLA-UNK-5c5a631c-2
0.236
KEI-TRE-d5e2018a-31
0.236
JOR-UNI-2fc98d0b-9
0.236