Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1C2C=C(Cl)C=CC2OCC2CC21 |
MW: | 366.11 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0d514e7d-31
0.625
DAR-DIA-6a508060-11
0.462
MAT-POS-f7918075-2
0.422
EDJ-MED-12c115cc-2
0.422
MAT-POS-bbbbc21a-2
0.422
EDJ-MED-12c115cc-1
0.422
FRA-DIA-c7e803f4-1
0.420
FRA-DIA-0fa076fe-1
0.420
ALP-UNI-c3ef0aba-1
0.417
MAT-POS-8a69d52e-5
0.411
ADA-UCB-dc2b944c-14
0.411
MAT-POS-8a69d52e-6
0.411
MAT-POS-8a69d52e-7
0.411
EDJ-MED-e4b030d8-11
0.411
MAT-POS-8a69d52e-4
0.411
ADA-UCB-dc2b944c-13
0.411
BRU-THA-01b12488-1
0.411
MAR-UCB-6ab2ec87-4
0.400
RAL-THA-c9f97604-2
0.396
DAR-DIA-0d514e7d-33
0.394
RAL-THA-05e671eb-21
0.394
FRA-DIA-0fa076fe-2
0.394
ALP-UNI-c3ef0aba-2
0.393
BEN-DND-f2e727cd-4
0.393
DAR-DIA-0d514e7d-23
0.391
WEN-TEX-cd7d53aa-1
0.391
BEN-BAS-5c03e89e-1
0.391
MAK-UNK-8be7dca9-10
0.391
ALF-EVA-b701bd13-4
0.390
DAR-DIA-0d514e7d-9
0.389
ALP-POS-fe871b40-16
0.389
RAL-THA-05e671eb-26
0.389
MIC-UNK-8758c41d-3
0.389
VLA-UNK-56836b69-1
0.389
MAK-UNK-8be7dca9-3
0.387
DAR-DIA-0d514e7d-34
0.387
DAR-DIA-0d514e7d-35
0.387
DAR-DIA-0d514e7d-7
0.386
PET-UNK-c0891748-10
0.385
PET-UNK-c0891748-4
0.385
ALP-POS-ce760d3f-1
0.385
DAR-DIA-0d514e7d-16
0.385
RYA-UNI-6d7114fd-1
0.383
RAL-THA-05e671eb-2
0.383
ALP-POS-869ac754-1
0.383
BEN-BAS-c2bc0d80-2
0.383
EDJ-MED-e4b030d8-2
0.382
MAT-POS-8a69d52e-2
0.382
ALP-POS-d3acb8cc-2
0.382
EDJ-MED-e4b030d8-3
0.382
ALP-POS-d3acb8cc-1
0.382
MAT-POS-8a69d52e-1
0.382
ALP-POS-d3acb8cc-3
0.382
MAT-POS-8a69d52e-3
0.382
RAL-THA-05e671eb-17
0.382
ALF-EVA-b701bd13-6
0.382
ALP-POS-d3acb8cc-4
0.382
ALF-EVA-ced740bd-4
0.381
DAR-DIA-0d514e7d-2
0.381
DAR-DIA-0d514e7d-1
0.381
DAR-DIA-0d514e7d-36
0.380
MAT-POS-f9802937-9
0.380
MAT-POS-b3e365b9-1
0.380
ALP-UNI-3735e77e-4
0.380
MAT-POS-78e1d523-6
0.380
MAT-POS-f9802937-8
0.380
MAT-POS-fb82b63d-1
0.380
MAT-POS-b3e365b9-2
0.380
MAT-POS-8e4737f4-2
0.380
VLA-UCB-1dbca3b4-15
0.380
MAT-POS-f7918075-1
0.380
EDJ-MED-e4b030d8-9
0.380
EDJ-MED-e4b030d8-12
0.380
RAL-THA-05e671eb-3
0.380
MAT-POS-78e1d523-5
0.380
DAR-DIA-0d514e7d-13
0.379
DAR-DIA-0d514e7d-17
0.379
ALP-POS-fe871b40-15
0.378
DAR-DIA-0d514e7d-8
0.378
DAR-DIA-0d514e7d-11
0.378
DAR-DIA-0d514e7d-14
0.378
ALP-POS-869ac754-2
0.377
DAR-DIA-0d514e7d-19
0.377
EDJ-MED-e4b030d8-6
0.377
VLA-UCB-1dbca3b4-16
0.376
EDJ-MED-e4b030d8-10
0.376
RAL-THA-05e671eb-27
0.376
BEN-BAS-c2bc0d80-4
0.376
RAL-THA-c9f97604-1
0.375
DAR-DIA-0d514e7d-6
0.374
BEN-BAS-c2bc0d80-1
0.374
ADA-UCB-dc2b944c-16
0.373
ALP-UNI-3735e77e-3
0.373
RAL-THA-05e671eb-11
0.373
VLA-UNK-9a7dc93f-3
0.373
BEN-DND-a02b439d-15
0.373
ALP-POS-347519b5-1
0.373
ROB-UNI-8bf7c232-1
0.373
PET-UNK-c0891748-12
0.373
RAL-THA-05e671eb-29
0.373