Molecular Properties | |
SMILES: | NCCCCNC(=O)[C@H]1CC(Cc2cccnc2)=C[C@H]1c1cccc(Cl)c1 |
MW: | 383.923 |
Fraction sp3: | 0.36 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 68.01 |
cLogP: | 3.8627 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
isolated alkene
Long aliphatic chain
Unbranched chain
AAR-POS-d2a4d1df-14
DAR-DIA-43a5904b-13
0.861
DAR-DIA-43a5904b-14
0.756
DAR-DIA-43a5904b-17
0.691
DAR-DIA-43a5904b-15
0.691
DAR-DIA-43a5904b-16
0.684
DAR-DIA-43a5904b-1
0.675
DAR-DIA-43a5904b-3
0.516
DAR-DIA-43a5904b-2
0.495
DAR-DIA-43a5904b-4
0.479
DAR-DIA-43a5904b-7
0.462
DAR-DIA-43a5904b-9
0.457
DAR-DIA-43a5904b-11
0.443
DAR-DIA-43a5904b-5
0.438
DAR-DIA-43a5904b-6
0.438
DAR-DIA-43a5904b-8
0.423
DAR-DIA-43a5904b-10
0.372
DAV-CRI-1c77f7a9-4
0.313
NIM-UNI-b87c0f72-1
0.306
NIM-UNI-b87c0f72-2
0.306
ERI-UCB-ce40166b-24
0.297
ADA-UNI-f8e79267-11
0.295
EDG-MED-0da5ad92-2
0.295
DAR-DIA-bd041b9b-20
0.287
MIC-UNK-5ce21166-1
0.277
DAR-DIA-bd041b9b-19
0.276
JAN-GHE-83b26c96-16
0.275
BEN-DND-61647d40-18
0.273
RYA-UNI-f4a878f6-1
0.271
ADA-UNI-f8e79267-8
0.270
ALP-POS-95b75b4d-7
0.269
JOR-UNI-2fc98d0b-16
0.268
MAR-TRE-b77b7921-33
0.268
ALP-POS-8b8a49e1-8
0.267
DAR-DIA-bd041b9b-29
0.267
MAT-POS-bb423b95-4
0.267
ALP-POS-95b75b4d-5
0.267
ADA-UNI-f8e79267-10
0.266
ALP-POS-90e38439-3
0.265
ALP-POS-8b8a49e1-5
0.265
MIC-UNK-42806bd5-2
0.265
RYA-UNI-c3f66fb2-1
0.264
EDJ-MED-a364e151-3
0.264
JOR-UNI-2fc98d0b-3
0.263
JOR-UNI-2fc98d0b-4
0.263
JOR-UNI-2fc98d0b-1
0.263
ALP-POS-95b75b4d-8
0.263
SAM-UNK-2684b532-13
0.263
PET-UNK-4dc48bbe-7
0.262
MAK-UNK-6ca90168-23
0.262
BAR-COM-ebf5acce-15
0.261
MAR-TRE-4b834d9a-26
0.261
PET-UNK-e8c7a26f-2
0.260
JOR-UNI-2fc98d0b-8
0.259
ADA-UNI-f8e79267-12
0.259
PET-UNK-7a31b064-5
0.259
ERI-UCB-ce40166b-23
0.259
JOH-UNI-a38a7bdd-9
0.259
MAK-UNK-ec98eaf6-26
0.259
JOR-UNI-2fc98d0b-14
0.259
DUN-NEW-d8381160-1
0.257
JAN-GHE-f4ca5a00-17
0.257
ANT-DIA-045cfdc4-5
0.257
MAR-TRE-74c6519b-81
0.257
NIM-UNI-13494739-5
0.257
MAK-UNK-10799360-24
0.256
UNK-UNK-2ede4078-35
0.256
MIC-UNK-8686cf1d-3
0.256
JAN-GHE-5a013bed-8
0.255
ALP-POS-76eab5ce-2
0.255
CHA-MCP-85291e1d-7
0.255
PET-UNK-4dc48bbe-1
0.255
PET-UNK-7a31b064-6
0.255
MAR-TRE-7f7bb9f0-15
0.254
MED-COV-4280ac29-3
0.254
SAD-SAT-135344c3-8
0.254
ANN-UNI-98d2bf15-3
0.252
JOH-UNI-abfda500-5
0.252
PET-UNK-7f7e354d-7
0.252
VLA-UCB-1dbca3b4-4
0.252
JOR-UNI-2fc98d0b-5
0.252
NIM-NMI-8bb27a2b-14
0.252
JAN-GHE-83b26c96-19
0.250
MAR-TRE-9c797165-48
0.250
PET-UNK-bbe8d7ff-1
0.250
DRR-IMP-38dce17f-4
0.250
JOR-UNI-2fc98d0b-7
0.250
WAR-XCH-eb7b662f-7
0.250
DAR-DIA-23aa0b97-14
0.250
MIC-UNK-8686cf1d-1
0.250
RAL-MED-2de63afb-1
0.250
MAT-POS-bb423b95-2
0.250
MIC-UNK-df342a3f-1
0.250
MIC-UNK-d935700b-2
0.250
NIM-NMI-8bb27a2b-27
0.248
MAR-TRE-d0525fbf-84
0.248
MIH-UNI-3396182e-9
0.248
BAR-COM-ebf5acce-9
0.248
JOR-UNI-2fc98d0b-2
0.248
SAM-UNK-2684b532-11
0.248
PET-UNK-8df914d1-5
0.248