Molecular Properties | |
SMILES: | O=C(C1CCSc2ccc(Cl)cc21)N(CCOC1C=CCC1)c1cccnc1 |
MW: | 414.12 |
Fraction sp3: | 0.36 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 42.43 |
cLogP: | 5.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
isolated alkene
Long aliphatic chain
JAG-UCB-a3ef7265-20
MAK-UNK-d508046f-14
0.705
MAK-UNK-d508046f-13
0.698
MAK-UNK-d508046f-17
0.688
MAK-UNK-d508046f-16
0.653
MAK-UNK-d508046f-8
0.650
MAK-UNK-d508046f-18
0.640
MAK-UNK-d508046f-10
0.638
MAK-UNK-d508046f-15
0.637
MAK-UNK-d508046f-6
0.634
MAK-UNK-d508046f-11
0.631
MAK-UNK-d508046f-9
0.627
MAK-UNK-d508046f-7
0.627
MAK-UNK-d508046f-5
0.593
MAK-UNK-d508046f-2
0.587
MAK-UNK-d508046f-20
0.587
MAK-UNK-d508046f-3
0.577
MAK-UNK-d508046f-12
0.575
MAK-UNK-d508046f-4
0.557
MAK-UNK-d508046f-1
0.552
MAT-POS-78e1d523-1
0.333
JAN-GHE-83b26c96-16
0.283
JOR-UNI-2fc98d0b-8
0.268
THO-SYG-f9b2970d-8
0.264
JOR-UNI-2fc98d0b-12
0.263
RAL-THA-9041a04d-4
0.250
MAT-POS-a54ce14d-1
0.250
JOR-UNI-2fc98d0b-17
0.250
SEA-TRI-8ad086cf-1
0.248
THO-SYG-f9b2970d-3
0.248
JOR-UNI-2fc98d0b-13
0.246
JOR-UNI-2fc98d0b-2
0.246
PET-UNK-e8c7a26f-2
0.245
JOR-UNI-2fc98d0b-16
0.244
THO-SYG-f9b2970d-7
0.242
JOR-UNI-2fc98d0b-15
0.242
LON-WEI-0a73fcb8-2
0.242
THO-SYG-f9b2970d-4
0.241
DAR-DIA-6a508060-16
0.240
JOR-UNI-2fc98d0b-3
0.240
SIM-SYN-a98e6a07-2
0.239
JUL-TUD-06b2044f-90
0.238
KEI-TRE-d5e2018a-39
0.238
DAR-DIA-6a508060-14
0.237
DAR-DIA-5ff57136-13
0.237
EDJ-MED-51d3200d-3
0.236
JOR-UNI-2fc98d0b-14
0.236
JOR-UNI-2fc98d0b-6
0.236
EMI-TUK-b780fc43-2
0.235
MIC-UNK-8686cf1d-8
0.234
SIM-SYN-a98e6a07-3
0.234
JOR-UNI-2fc98d0b-9
0.233
MAR-TRE-4b834d9a-79
0.232
MAK-UNK-8fdbca50-30
0.231
MAT-POS-e69ad64a-1
0.231
RAL-THA-3d7a794f-3
0.230
TRY-UNI-69298daf-5
0.230
JOR-UNI-2fc98d0b-1
0.230
JOR-UNI-2fc98d0b-11
0.230
KEI-TRE-d5e2018a-54
0.229
RYA-UNI-f4a878f6-1
0.228
ALP-POS-1245c3fa-2
0.228
MIC-UNK-8686cf1d-4
0.228
MIC-UNK-8686cf1d-3
0.227
MAK-UNK-b2c98f02-8
0.227
DAV-CRI-1c77f7a9-4
0.227
BRU-THA-92256091-9
0.226
BRU-THA-92256091-13
0.226
ALP-POS-902f21bb-2
0.226
JOR-UNI-2fc98d0b-10
0.226
MIC-UNK-8686cf1d-9
0.226
BRU-THA-92256091-71
0.225
MIC-SGC-657978c3-7
0.225
ERI-UCB-ce40166b-23
0.225
ALP-POS-6495d03e-4
0.224
RAL-THA-9041a04d-6
0.224
DAR-DIA-43a5904b-13
0.224
VLA-UNK-5c5a631c-2
0.224
KEI-TRE-d5e2018a-31
0.224
ALP-POS-02c6a514-36
0.223
ALP-POS-b0bc6a46-21
0.223
ALP-POS-b0bc6a46-26
0.223
ALP-POS-02c6a514-42
0.223
ADA-UCB-6c2cb422-2
0.222
DAR-DIA-5ff57136-17
0.222
BEN-BAS-edf2ae6d-1
0.222
MED-UNK-e6e8ef8a-4
0.222
WIL-UNI-5578df48-8
0.222
DAN-PUR-3907f623-3
0.222
BRU-THA-92256091-56
0.221
JOH-UNI-21fd6073-3
0.221
JAN-GHE-76def03c-1
0.221
MIK-MCD-9143301b-1
0.221
DAR-DIA-b4e9dd8d-5
0.221
DAR-DIA-b4e9dd8d-2
0.221
DAR-DIA-b4e9dd8d-4
0.221
EDJ-MED-28b38b9b-2
0.221
KEI-TRE-d5e2018a-33
0.220
ADA-UNI-f8e79267-10
0.220
BRU-THA-92256091-69
0.220
BRU-THA-92256091-3
0.220