Molecular Properties | |
SMILES: | Cn1c(C#N)nc(Cc2cccc(Cl)c2)c1NC(=O)c1cccnc1 |
MW: | 351.09 |
Fraction sp3: | 0.11 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 83.6 |
cLogP: | 3.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-bd041b9b-19
0.702
DAR-DIA-bd041b9b-28
0.607
DAR-DIA-bd041b9b-27
0.562
DAR-DIA-bd041b9b-30
0.529
DAR-DIA-bd041b9b-31
0.524
DAR-DIA-bd041b9b-26
0.519
DAR-DIA-bd041b9b-20
0.459
DAR-DIA-bd041b9b-11
0.412
DAR-DIA-bd041b9b-18
0.412
DAR-DIA-bd041b9b-17
0.392
DAR-DIA-bd041b9b-3
0.385
MAK-UNK-6ca90168-23
0.359
EDG-MED-0da5ad92-2
0.356
CHR-SOS-7098f804-12
0.349
JAN-GHE-83b26c96-16
0.344
MED-COV-4280ac29-3
0.340
BEN-DND-61647d40-20
0.333
PET-UNK-6314f867-3
0.330
PET-UNK-e8c7a26f-2
0.326
PET-UNK-8df914d1-5
0.326
MAT-POS-bb423b95-5
0.326
TRY-UNI-714a760b-6
0.326
MAT-POS-c20a539d-5
0.324
PET-UNK-6314f867-2
0.324
ADA-UNI-f8e79267-11
0.323
AGN-NEW-c7b24fe3-4
0.319
PET-UNK-8df914d1-4
0.319
BEN-DND-1e24cf73-4
0.317
BEN-DND-1e24cf73-2
0.317
EDJ-MED-49816e9b-3
0.315
PET-UNK-bbe8d7ff-2
0.313
RUB-POS-1325a9ea-19
0.312
JAN-GHE-5a013bed-8
0.311
PET-UNK-5ecb6237-1
0.311
DAR-DIA-076fb6ea-6
0.311
ADA-UNI-f8e79267-12
0.310
MAR-TRE-4f781e27-2
0.310
BEN-DND-1e24cf73-6
0.308
RUB-POS-1325a9ea-14
0.307
PET-UNK-e274cad4-1
0.307
DAR-DIA-bd041b9b-21
0.306
BEN-DND-1e24cf73-1
0.306
JAN-GHE-83b26c96-15
0.305
EDG-MED-0da5ad92-1
0.305
MAT-POS-29385cc1-2
0.305
PET-UNK-a692de38-1
0.305
MAT-POS-90fd5f68-2
0.305
SAM-UNK-2684b532-13
0.304
AAR-RCN-28a8122f-1
0.304
ALP-POS-95b75b4d-8
0.304
EDG-MED-0da5ad92-13
0.304
JAG-UCB-a3ef7265-15
0.304
MIC-UNK-f2576da4-1
0.304
BEN-DND-1e24cf73-5
0.304
PET-UNK-158bee2a-2
0.303
JIN-POS-6dc588a4-6
0.303
PET-UNK-e274cad4-6
0.303
MAT-POS-b5746674-69
0.303
STE-KUL-2e0d2e88-3
0.302
JOH-UNI-ee5ed7c8-9
0.302
MAR-TRE-04c86cea-65
0.302
JOH-UNI-3fc3434e-9
0.302
ALP-POS-95b75b4d-6
0.301
EDJ-MED-49816e9b-5
0.301
EDJ-MED-c8e7a002-16
0.300
JIN-POS-6dc588a4-16
0.300
JIN-POS-6dc588a4-3
0.299
ALP-POS-f13221e1-4
0.299
DAR-DIA-bd041b9b-1
0.298
CHR-SOS-7098f804-21
0.297
ALP-POS-95b75b4d-7
0.296
ADA-UNI-f8e79267-8
0.295
MAT-POS-90fd5f68-20
0.295
RYA-UNI-f4a878f6-1
0.295
DAR-DIA-43a5904b-17
0.294
JOH-UNI-3fc3434e-8
0.294
MAK-UNK-ec98eaf6-20
0.294
JOH-UNI-ee5ed7c8-8
0.294
BAR-COM-ebf5acce-13
0.294
VLA-UNK-411a133b-2
0.293
MAR-TRE-3e4e6814-83
0.293
MAT-POS-bb423b95-1
0.293
EDJ-MED-6ab52e52-1
0.293
MIC-UNK-50cce87d-2
0.293
BAR-COM-ebf5acce-2
0.292
JAN-GHE-83b26c96-19
0.292
WAR-XCH-eb7b662f-7
0.292
JOR-UNI-2fc98d0b-7
0.292
DAR-DIA-23aa0b97-14
0.292
MIC-UNK-5ce21166-1
0.292
JOH-UNI-abfda500-5
0.292
TRY-UNI-714a760b-3
0.292
JOH-UNI-abfda500-4
0.292
ANN-UNI-98d2bf15-3
0.292
BEN-DND-61647d40-10
0.292
ADA-UNI-f8e79267-10
0.291
MAT-POS-90fd5f68-38
0.291
DAR-DIA-bd041b9b-32
0.291
EDG-MED-0da5ad92-16
0.290
MAK-UNK-2c1752f0-1
0.290