Molecular Properties | |
SMILES: | O=C(NCCN1CCOCC1)[C@H]1CC(Cc2cccnc2)=C[C@H]1c1cccc(Cl)c1 |
MW: | 425.96 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 54.46 |
cLogP: | 3.456 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
isolated alkene
AAR-POS-d2a4d1df-14
DAR-DIA-43a5904b-17
0.815
DAR-DIA-43a5904b-15
0.815
DAR-DIA-43a5904b-13
0.722
DAR-DIA-43a5904b-14
0.710
DAR-DIA-43a5904b-12
0.684
DAR-DIA-43a5904b-1
0.598
DAR-DIA-43a5904b-3
0.460
DAR-DIA-43a5904b-2
0.441
DAR-DIA-43a5904b-11
0.437
DAR-DIA-43a5904b-4
0.429
DAR-DIA-43a5904b-9
0.422
DAR-DIA-43a5904b-7
0.410
DAR-DIA-43a5904b-8
0.390
DAR-DIA-43a5904b-5
0.390
DAR-DIA-43a5904b-6
0.390
JOR-UNI-2fc98d0b-6
0.363
JOR-UNI-2fc98d0b-1
0.345
DAR-DIA-43a5904b-10
0.343
JOR-UNI-2fc98d0b-9
0.342
ALP-POS-02c6a514-55
0.339
LON-WEI-adc59df6-25
0.325
ALP-POS-88a7a97e-47
0.323
SEA-TRI-fac72a44-1
0.317
DAV-CRI-1c77f7a9-4
0.314
NIM-UNI-b87c0f72-1
0.308
NIM-UNI-b87c0f72-2
0.308
SEA-TRI-078a8df3-1
0.305
MAR-LAB-ca4662a6-5
0.304
MAR-TRE-fd17a9b8-36
0.303
STE-KUL-2e0d2e88-3
0.302
DAR-DIA-6a49afbe-5
0.302
ERI-UCB-ce40166b-24
0.299
SAD-SAT-7d5528d9-2
0.296
MAR-TRE-fd17a9b8-62
0.295
DAR-DIA-bd041b9b-20
0.289
MAR-TRE-67513f76-19
0.286
JOR-UNI-61e7b1d5-16
0.285
JOH-IMS-1436231f-6
0.284
AAR-POS-0daf6b7e-29
0.284
MAR-TRE-3e4e6814-25
0.282
MAR-TRE-7f7bb9f0-71
0.282
DAR-DIA-bd041b9b-29
0.281
MAR-TRE-fd17a9b8-7
0.281
MED-COV-4280ac29-22
0.280
DAR-DIA-bd041b9b-19
0.279
ALP-POS-780445ae-1
0.278
JUL-TUD-06b2044f-154
0.278
JOR-UNI-2fc98d0b-11
0.277
MAR-TRE-a9136c7b-11
0.275
MAR-TRE-4b834d9a-26
0.275
PET-UNK-7a31b064-5
0.274
ADA-UNI-f8e79267-11
0.274
NIM-UNI-7f77122c-3
0.274
ALP-POS-305f6ec3-11
0.274
JOR-UNI-2fc98d0b-10
0.273
JOR-UNI-2fc98d0b-13
0.273
ALP-POS-305f6ec3-22
0.272
EDG-MED-0da5ad92-2
0.272
SAD-SAT-7d5528d9-6
0.271
JOR-UNI-2fc98d0b-16
0.271
MAK-UNK-5d2caa6f-2
0.271
PET-UNK-4dc48bbe-1
0.270
JOR-UNI-61e7b1d5-10
0.269
SAD-SAT-7d5528d9-7
0.269
ERI-UCB-ce40166b-22
0.268
JOR-UNI-2fc98d0b-15
0.268
JOR-UNI-61e7b1d5-3
0.268
VLA-UCB-1dbca3b4-4
0.268
DRR-IMP-38dce17f-4
0.267
JOR-UNI-61e7b1d5-17
0.267
JOR-UNI-2fc98d0b-5
0.267
JOR-UNI-2fc98d0b-17
0.267
JOR-UNI-2fc98d0b-3
0.267
JOR-UNI-2fc98d0b-4
0.267
SAD-SAT-7d5528d9-5
0.265
LON-WEI-4d77710c-16
0.264
MAT-POS-2492181e-11
0.264
MAT-POS-b5746674-109
0.264
LON-WEI-5e7d1b3e-16
0.264
MAR-TRE-fd17a9b8-68
0.264
SAD-SAT-7d5528d9-14
0.263
ADA-UNI-f8e79267-8
0.263
MAR-TRE-fd17a9b8-44
0.262
MAK-UNK-ec98eaf6-26
0.262
JOR-UNI-2fc98d0b-14
0.262
MAR-TRE-c317dd82-69
0.261
NIM-UNI-13494739-5
0.261
KEI-TRE-d5e2018a-13
0.261
MAR-TRE-b77b7921-33
0.261
UNK-UNK-2ede4078-35
0.260
SAD-SAT-24589cd1-6
0.260
BAR-COM-4e090d3a-54
0.260
TAM-UNI-d1c3dd9f-12
0.259
PET-UNK-7a31b064-6
0.259
SEA-TRI-67e8f1c7-1
0.258
DAR-DIA-6a49afbe-6
0.257
SAM-UNK-2684b532-14
0.257
PET-UNK-7f7e354d-7
0.257
SAD-SAT-7d5528d9-4
0.256
SAD-SAT-7d5528d9-35
0.256