Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)C(C)(C(=O)Nc1cnccc1C)c1cccc(Cl)c1 |
MW: | 408.14 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 83.98 |
cLogP: | 4.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
beta-keto/anhydride
Dye 11
MAK-UNK-6435e6c2-8
JAN-GHE-83b26c96-22
0.710
EDG-MED-0da5ad92-10
0.710
JAN-GHE-83b26c96-23
0.662
BAR-COM-0f94fc3d-38
0.632
MAK-UNK-f203cb68-9
0.587
JAG-UCB-cedd89ab-8
0.537
TRY-UNI-714a760b-12
0.537
TRY-UNI-714a760b-6
0.507
MAK-UNK-6ca90168-24
0.507
JAN-GHE-83b26c96-9
0.500
EDG-MED-0da5ad92-3
0.500
EDG-MED-0da5ad92-19
0.500
JAN-GHE-83b26c96-20
0.493
EDG-MED-0da5ad92-11
0.493
JAN-GHE-83b26c96-10
0.486
JAN-GHE-83b26c96-4
0.486
TRY-UNI-714a760b-18
0.486
TRY-UNI-2eddb1ff-5
0.486
JAN-GHE-83b26c96-5
0.486
TRY-UNI-2eddb1ff-4
0.486
EDG-MED-0da5ad92-5
0.479
ALP-POS-f13221e1-4
0.479
BAR-COM-0f94fc3d-25
0.474
EDG-MED-0da5ad92-6
0.465
MAT-POS-1e5f28a7-1
0.461
SAM-UNK-2684b532-2
0.455
VLA-UCB-05e51b3f-2
0.451
NAU-LAT-a5c7d7cb-3
0.451
MAK-UNK-f203cb68-3
0.450
SAM-UNK-2684b532-1
0.449
JAN-GHE-83b26c96-8
0.449
AAR-POS-d2a4d1df-3
0.448
MAK-UNK-6435e6c2-8
0.448
DAR-DIA-0cde14eb-79
0.447
TRY-UNI-9f475305-3
0.434
SAM-UNK-2684b532-3
0.434
SAM-UNK-2684b532-4
0.434
MAK-UNK-6ca90168-26
0.429
BEN-DND-93268d01-13
0.425
SAD-SAT-7d5528d9-4
0.424
MAK-UNK-f203cb68-19
0.422
JAN-GHE-83b26c96-14
0.421
DAR-DIA-0cde14eb-76
0.421
ALP-POS-95b75b4d-3
0.421
MAK-UNK-f203cb68-1
0.419
EDG-MED-0da5ad92-20
0.417
JAN-GHE-83b26c96-21
0.417
MAT-POS-136e7878-1
0.414
MAK-UNK-6ca90168-27
0.413
GAB-REV-70cc3ca5-22
0.412
SAD-SAT-7d5528d9-7
0.412
EDG-MED-0da5ad92-8
0.411
TRY-UNI-2eddb1ff-2
0.411
WIL-UNI-2e73223c-4
0.410
MAK-UNK-f203cb68-22
0.409
ASH-SAT-43770c7d-9
0.409
ALE-HEI-f28a35b5-1
0.406
TRY-UNI-714a760b-4
0.406
GAB-REV-70cc3ca5-21
0.403
MAR-TRE-4b834d9a-26
0.402
NAU-LAT-2fed8305-1
0.400
TRY-UNI-2eddb1ff-3
0.400
MAK-UNK-f203cb68-4
0.398
MAK-UNK-f203cb68-21
0.398
ADA-UCB-6c2cb422-9
0.396
DAR-DIA-0cde14eb-77
0.395
BAR-COM-0f94fc3d-41
0.395
JAN-GHE-83b26c96-17
0.395
RAL-THA-6b94ceba-6
0.392
MAT-POS-c9973a83-1
0.392
MAT-POS-590ac91e-11
0.391
ALE-HEI-f28a35b5-12
0.391
MAT-POS-590ac91e-13
0.391
ALE-HEI-f28a35b5-13
0.391
DAR-DIA-2964957d-2
0.390
TRY-UNI-714a760b-24
0.390
ALE-HEI-f28a35b5-2
0.389
ERI-UCB-5b47150d-1
0.388
MAT-POS-590ac91e-1
0.388
MAT-POS-590ac91e-2
0.388
DAR-DIA-0cde14eb-6
0.388
EDJ-MED-49816e9b-1
0.387
JAN-GHE-83b26c96-13
0.387
EDJ-MED-e58735b6-2
0.387
ALP-POS-95b75b4d-2
0.387
MAT-POS-0d6fb2dd-1
0.385
MAT-POS-6c3d76b3-1
0.385
MAK-UNK-f203cb68-20
0.385
ALP-POS-95b75b4d-1
0.382
JAN-GHE-83b26c96-12
0.382
RIT-AID-a492ba81-1
0.380
TRY-UNI-714a760b-5
0.380
BAR-COM-0f94fc3d-19
0.380
ERI-UCB-5b47150d-4
0.377
EDG-MED-0da5ad92-1
0.377
JAN-GHE-83b26c96-15
0.377
DAR-DIA-0cde14eb-5
0.375
DAR-DIA-0cde14eb-78
0.375
PET-SGC-6e7c5dc0-1
0.375
MAK-UNK-f203cb68-15
0.373