Molecular Properties | |
SMILES: | NCCNC(=O)[C@H]1CC(Cc2cccnc2)=C[C@H]1c1cccc(Cl)c1 |
MW: | 355.869 |
Fraction sp3: | 0.3 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 68.01 |
cLogP: | 3.0825 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
isolated alkene
AAR-POS-d2a4d1df-14
DAR-DIA-43a5904b-12
0.861
DAR-DIA-43a5904b-14
0.802
DAR-DIA-43a5904b-15
0.730
DAR-DIA-43a5904b-17
0.730
DAR-DIA-43a5904b-16
0.722
DAR-DIA-43a5904b-1
0.718
DAR-DIA-43a5904b-3
0.547
DAR-DIA-43a5904b-2
0.523
DAR-DIA-43a5904b-4
0.505
DAR-DIA-43a5904b-7
0.488
DAR-DIA-43a5904b-9
0.483
DAR-DIA-43a5904b-11
0.467
DAR-DIA-43a5904b-5
0.462
DAR-DIA-43a5904b-6
0.462
DAR-DIA-43a5904b-8
0.446
DAR-DIA-43a5904b-10
0.393
DAV-CRI-1c77f7a9-4
0.327
NIM-UNI-b87c0f72-1
0.321
NIM-UNI-b87c0f72-2
0.321
ERI-UCB-ce40166b-24
0.311
EDG-MED-0da5ad92-2
0.311
ADA-UNI-f8e79267-11
0.310
JAN-GHE-83b26c96-16
0.302
DAR-DIA-bd041b9b-20
0.300
ANT-DIA-045cfdc4-5
0.294
MIC-UNK-5ce21166-1
0.292
BEN-DND-61647d40-18
0.287
JOR-UNI-2fc98d0b-8
0.284
ADA-UNI-f8e79267-8
0.283
ERI-UCB-ce40166b-23
0.283
ALP-POS-95b75b4d-7
0.283
MAR-TRE-74c6519b-81
0.282
ALP-POS-8b8a49e1-8
0.281
MAR-TRE-b77b7921-33
0.280
ALP-POS-8b8a49e1-5
0.280
ALP-POS-90e38439-3
0.280
MIC-UNK-42806bd5-2
0.280
UNK-UNK-2ede4078-35
0.279
MAK-UNK-10799360-24
0.279
ADA-UNI-f8e79267-10
0.279
MAT-POS-bb423b95-3
0.277
ALP-POS-0c2c77e1-1
0.277
DAR-DIA-bd041b9b-19
0.277
SAM-UNK-2684b532-13
0.277
ALP-POS-95b75b4d-8
0.277
PET-UNK-4dc48bbe-7
0.276
MAK-UNK-6ca90168-23
0.276
BAR-COM-ebf5acce-15
0.274
MAR-TRE-4b834d9a-26
0.273
PET-UNK-e8c7a26f-2
0.273
RYA-UNI-f4a878f6-1
0.272
JOR-UNI-2fc98d0b-2
0.272
ADA-UNI-f8e79267-12
0.272
PET-UNK-7a31b064-5
0.272
DUN-NEW-d8381160-1
0.270
JAN-GHE-f4ca5a00-17
0.270
DAN-LON-a5fc619e-6
0.269
JAN-GHE-5a013bed-8
0.269
JOR-UNI-2fc98d0b-16
0.269
DAR-DIA-bd041b9b-29
0.268
CHA-MCP-85291e1d-7
0.267
MAK-UNK-5d2caa6f-1
0.267
MAT-POS-bb423b95-4
0.267
PET-UNK-4dc48bbe-1
0.267
ALP-POS-76eab5ce-2
0.267
ALP-POS-95b75b4d-5
0.267
PET-UNK-7a31b064-6
0.267
MED-COV-4280ac29-3
0.266
JOR-UNI-2fc98d0b-12
0.266
BAR-COM-ebf5acce-10
0.266
JOH-UNI-abfda500-5
0.265
DAN-LON-a5fc619e-1
0.265
ANN-UNI-98d2bf15-3
0.265
RYA-UNI-c3f66fb2-1
0.265
EDJ-MED-a364e151-3
0.265
VLA-UCB-1dbca3b4-4
0.265
PET-UNK-7f7e354d-7
0.265
DRR-IMP-38dce17f-4
0.264
DAR-DIA-23aa0b97-14
0.264
JOR-UNI-2fc98d0b-7
0.264
JAN-GHE-83b26c96-19
0.264
WAR-XCH-eb7b662f-7
0.264
JOR-UNI-2fc98d0b-1
0.264
JOR-UNI-2fc98d0b-4
0.264
JOR-UNI-2fc98d0b-11
0.264
JOR-UNI-2fc98d0b-3
0.264
MAR-TRE-fd17a9b8-92
0.263
NIM-NMI-8bb27a2b-14
0.262
PET-UNK-bbe8d7ff-1
0.262
MIC-UNK-d935700b-2
0.262
RAL-MED-2de63afb-1
0.262
MAR-TRE-9c797165-48
0.262
MAT-POS-bb423b95-2
0.262
CHR-SOS-7098f804-12
0.261
JAN-GHE-83b26c96-18
0.260
ALP-POS-95b75b4d-6
0.260
SAM-UNK-2684b532-11
0.260
PET-UNK-8df914d1-5
0.260
RUB-POS-1325a9ea-19
0.260
MAT-POS-bb423b95-5
0.260