Molecular Properties | |
SMILES: | N#Cc1cc(Cl)cc2c1NC(=O)CC2C(=O)Nc1cncc2ccccc12 |
MW: | 376.07 |
Fraction sp3: | 0.1 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 94.88 |
cLogP: | 3.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-f39f51fd-1
0.750
ALP-POS-fe871b40-2
0.659
VLA-UNK-9a7dc93f-3
0.644
EDJ-MED-a6bd50ad-1
0.633
MAT-POS-43c25e9b-2
0.633
MAT-POS-43c25e9b-1
0.633
MIC-UNK-45817b9b-1
0.633
ALP-POS-fe871b40-14
0.602
ALP-POS-fe871b40-16
0.581
VLA-UNK-56836b69-1
0.581
MIC-UNK-8758c41d-3
0.581
RAL-THA-05e671eb-20
0.567
ALP-POS-fe871b40-1
0.567
ALP-POS-fe871b40-15
0.562
MAT-POS-8d5af1ef-1
0.547
MIC-UNK-45817b9b-2
0.536
PET-UNK-c0891748-12
0.526
PET-UNK-c0891748-6
0.526
ALP-UNI-ba800595-1
0.521
BEN-BAS-c2bc0d80-1
0.516
MAR-UCB-6ab2ec87-6
0.505
DAR-DIA-9f765dc6-2
0.500
MAR-UCB-6ab2ec87-1
0.500
RAL-THA-4aa06b95-1
0.500
DAR-DIA-9f765dc6-5
0.500
DAR-DIA-9f765dc6-6
0.500
EDJ-MED-2791eece-4
0.495
VLA-UNK-8e76d113-2
0.495
RAL-THA-8416115c-2
0.495
MIC-UNK-91acba05-6
0.495
EDG-MED-5d232de5-6
0.495
EDG-MED-5d232de5-5
0.495
DAR-DIA-0f2f46c9-12
0.495
DAR-DIA-9f765dc6-3
0.490
ALF-EVA-b701bd13-6
0.490
DAR-DIA-9f765dc6-1
0.490
DAR-DIA-9f765dc6-4
0.490
PET-UNK-4d432d33-2
0.485
PET-UNK-4d432d33-6
0.485
EDJ-MED-92e193ae-2
0.485
ROB-UNI-322e8f70-3
0.485
RAL-THA-05e671eb-16
0.485
MIC-UNK-91acba05-5
0.485
MAR-UCB-6ab2ec87-7
0.485
MAT-POS-865c3497-2
0.485
MAT-POS-865c3497-1
0.485
EDJ-MED-92e193ae-1
0.485
ALP-UNI-3735e77e-2
0.485
MAT-POS-22e8b45a-1
0.485
ALP-POS-477dc5b7-2
0.485
MIC-UNK-91acba05-1
0.485
MAR-UCB-6ab2ec87-4
0.485
PET-UNK-2337ec19-1
0.482
PET-UNK-2337ec19-3
0.482
DAR-DIA-0587064e-14
0.481
DAR-DIA-0587064e-13
0.481
VLA-UNK-8e76d113-1
0.481
RAL-THA-4aa06b95-6
0.480
MIC-UNK-91acba05-2
0.480
EDJ-MED-eb111c00-1
0.480
ROB-UNI-322e8f70-2
0.480
EDJ-MED-12c115cc-2
0.479
MAT-POS-bbbbc21a-2
0.479
EDJ-MED-12c115cc-1
0.479
MAT-POS-f7918075-2
0.479
DAR-DIA-0587064e-11
0.477
EDJ-MED-43f8f7d6-8
0.477
EDJ-MED-12c4873b-8
0.477
RAL-THA-8f106089-1
0.477
RAL-THA-8f106089-2
0.477
DAR-DIA-0f2f46c9-10
0.475
ALP-POS-d054b76b-1
0.475
BEN-DND-f2e727cd-6
0.475
MAT-POS-dd3ad2b5-1
0.475
MAT-POS-3ccb8ef6-1
0.475
MAT-POS-3ccb8ef6-2
0.475
MAT-POS-d8472c4f-5
0.475
PET-UNK-c0891748-8
0.475
BEN-DND-f2e727cd-5
0.475
EDJ-MED-12f7f543-1
0.475
PET-UNK-c0891748-2
0.475
ALP-POS-fe871b40-5
0.475
RAL-THA-05e671eb-24
0.475
RAL-THA-05e671eb-25
0.475
DAR-DIA-0587064e-16
0.472
RAL-THA-4aa06b95-2
0.471
RAL-THA-4aa06b95-3
0.471
MAT-POS-61f37a1a-12
0.471
RAL-THA-8416115c-4
0.471
PET-UNK-162c14b2-1
0.471
ALP-POS-966f8da6-2
0.471
RAL-THA-c11c1343-1
0.471
DAR-DIA-0f2f46c9-4
0.471
MAK-UNK-8be7dca9-10
0.471
EDG-MED-5d232de5-4
0.471
EDG-MED-5d232de5-3
0.471
DAR-DIA-0f2f46c9-5
0.471
ALP-POS-a577c8a2-2
0.471
DAR-DIA-0f2f46c9-6
0.471
BEN-BAS-c2bc0d80-4
0.470