Molecular Properties | |
SMILES: | CC(C)CCNC(=O)[C@H]1CC(Cc2cccnc2)=C[C@H]1c1cccc(Cl)c1 |
MW: | 382.935 |
Fraction sp3: | 0.39 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 41.99 |
cLogP: | 5.16990000000001 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
isolated alkene
Long aliphatic chain
AAR-POS-d2a4d1df-14
DAR-DIA-43a5904b-13
0.802
DAR-DIA-43a5904b-12
0.756
DAR-DIA-43a5904b-17
0.736
DAR-DIA-43a5904b-15
0.717
DAR-DIA-43a5904b-16
0.710
DAR-DIA-43a5904b-1
0.663
DAR-DIA-43a5904b-3
0.505
DAR-DIA-43a5904b-2
0.484
DAR-DIA-43a5904b-4
0.469
DAR-DIA-43a5904b-7
0.451
DAR-DIA-43a5904b-11
0.448
DAR-DIA-43a5904b-9
0.447
DAR-DIA-43a5904b-6
0.427
DAR-DIA-43a5904b-5
0.427
DAR-DIA-43a5904b-8
0.427
DAR-DIA-43a5904b-10
0.362
ADA-UNI-f8e79267-11
0.337
NIM-UNI-b87c0f72-1
0.333
NIM-UNI-b87c0f72-2
0.333
DAV-CRI-1c77f7a9-4
0.327
ADA-UNI-f8e79267-8
0.308
DAR-DIA-bd041b9b-20
0.301
MAT-POS-bb423b95-5
0.300
ERI-UCB-ce40166b-24
0.300
PET-UNK-7a31b064-5
0.298
EDG-MED-0da5ad92-2
0.298
RYA-UNI-f4a878f6-1
0.296
PET-UNK-7a31b064-6
0.292
ADA-UNI-f8e79267-10
0.292
PET-UNK-4dc48bbe-7
0.290
JAN-GHE-83b26c96-16
0.290
JOH-UNI-0e1753c1-5
0.286
DAN-LON-a5fc619e-3
0.286
MAR-TRE-4b834d9a-26
0.286
NIM-NMI-8bb27a2b-14
0.285
DAR-DIA-bd041b9b-29
0.281
MAK-UNK-10799360-24
0.281
MIC-UNK-5ce21166-1
0.280
SAD-SAT-135344c3-8
0.279
DAR-DIA-bd041b9b-19
0.278
AAR-POS-0daf6b7e-10
0.278
MAK-UNK-f203cb68-2
0.278
RYA-UNI-c3f66fb2-1
0.277
EDG-MED-0da5ad92-5
0.275
RUB-POS-1325a9ea-19
0.275
SAM-UNK-2684b532-11
0.275
ADA-UNI-f8e79267-12
0.274
JAN-GHE-83b26c96-8
0.274
SAD-SAT-c989feaa-6
0.274
JAN-GHE-5a013bed-8
0.271
NIM-NMI-8bb27a2b-27
0.270
MAR-TRE-b77b7921-33
0.270
ADA-UNI-f8e79267-7
0.270
ALP-POS-8b8a49e1-8
0.270
CHA-MCP-85291e1d-7
0.269
PET-UNK-4dc48bbe-1
0.269
THO-SYG-f9b2970d-2
0.269
MIC-UNK-f2576da4-1
0.269
DAN-LON-a5fc619e-7
0.269
MIC-UNK-8686cf1d-9
0.268
ALP-POS-90e38439-3
0.268
MIC-UNK-42806bd5-2
0.268
ALP-POS-8b8a49e1-5
0.268
BAR-COM-ebf5acce-10
0.268
SAM-UNK-2684b532-7
0.267
NIM-NMI-8bb27a2b-4
0.267
MIC-UNK-8686cf1d-3
0.267
SAM-UNK-2684b532-5
0.267
SAM-UNK-2684b532-6
0.267
VLA-UCB-1dbca3b4-4
0.267
BAR-COM-ebf5acce-3
0.266
ALP-POS-95b75b4d-8
0.265
EDG-MED-0da5ad92-13
0.265
SAM-UNK-2684b532-13
0.265
MAK-UNK-6ca90168-23
0.265
PET-UNK-bbe8d7ff-1
0.264
BAR-COM-ebf5acce-15
0.264
ALP-POS-b0bc6a46-21
0.264
ALP-POS-02c6a514-36
0.264
MAK-UNK-f203cb68-1
0.263
MIC-UNK-8686cf1d-7
0.263
BEN-DND-61647d40-18
0.263
JAN-GHE-83b26c96-9
0.262
PET-UNK-e8c7a26f-2
0.262
KEI-TRE-d5e2018a-19
0.262
JOR-UNI-2fc98d0b-8
0.262
JOH-UNI-a38a7bdd-9
0.261
ERI-UCB-ce40166b-23
0.261
MIC-UNK-8686cf1d-1
0.261
MAR-TRE-d0525fbf-84
0.261
JOR-UNI-2fc98d0b-14
0.261
NIC-BIO-3276ca7f-6
0.261
MAK-UNK-f203cb68-4
0.261
TRY-UNI-714a760b-6
0.260
ALP-POS-1245c3fa-2
0.260
DUN-NEW-d8381160-1
0.260
NIC-BIO-a68395b7-4
0.260
ALP-POS-95b75b4d-7
0.260
JAN-GHE-f4ca5a00-17
0.260
NIM-UNI-13494739-5
0.259