Molecular Properties | |
SMILES: | O=C1Nc2ccc(Cl)cc2C12NCCN(c1cncc3ccccc13)C2=O |
MW: | 378.09 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 1 |
TPSA: | 74.33 |
cLogP: | 2.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
beta-keto/anhydride
Dye 11
VLA-UCB-29506327-1
MAT-POS-a9372f04-1
0.604
VLA-UNK-70dd90ef-2
0.593
DAR-DIA-6be260fc-5
0.557
DAR-DIA-6be260fc-1
0.536
JAG-UCB-f37eaa14-2
0.536
ALP-POS-e0fe77e5-13
0.525
DAR-DIA-6be260fc-6
0.505
VLA-UNK-70dd90ef-3
0.500
JAG-UCB-f37eaa14-5
0.491
JAG-UCB-f37eaa14-9
0.490
PET-UNK-aa57768f-2
0.486
PET-UNK-aa57768f-8
0.486
LUO-POS-e1dab717-19
0.486
DAR-DIA-6be260fc-3
0.485
ALP-POS-41e2080f-1
0.485
EDJ-MED-d4864bdc-3
0.485
EDJ-MED-94fddcec-4
0.485
YVE-CNR-7d92d73e-1
0.485
JAG-UCB-f37eaa14-6
0.481
EDJ-MED-f9b78f78-4
0.481
ALP-POS-4483ae88-1
0.481
JAG-UCB-f37eaa14-3
0.480
PET-UNK-14142a25-6
0.478
PET-UNK-14142a25-15
0.478
PET-UNK-aa57768f-3
0.472
PET-UNK-aa57768f-9
0.472
DAR-DIA-6be260fc-4
0.471
EDJ-MED-159244ea-1
0.471
ALP-POS-477dc5b7-4
0.471
MAT-POS-983b399a-1
0.471
LUO-POS-ed2cfb03-2
0.467
EDJ-MED-7587a9ee-3
0.467
DAR-DIA-6be260fc-2
0.467
PET-UNK-14142a25-7
0.466
PET-UNK-14142a25-16
0.466
MAT-POS-c7726e07-5
0.463
LUO-POS-868e8996-12
0.463
MAT-POS-c7726e07-6
0.463
EDJ-MED-8bb691af-4
0.463
LUO-POS-868e8996-11
0.463
EDJ-MED-40e596c8-3
0.461
JAG-UCB-f37eaa14-4
0.459
ALP-POS-ecbed2ba-20
0.458
PET-UNK-aa57768f-5
0.455
PET-UNK-aa57768f-11
0.455
VLA-UNK-3bd6fc51-1
0.454
MAT-POS-e75f6e44-16
0.453
ALP-POS-ecbed2ba-13
0.452
MAT-POS-69786b79-4
0.452
VLA-UNK-c65c1026-1
0.452
ALP-POS-ecbed2ba-14
0.451
ALP-POS-ecbed2ba-12
0.451
MAT-POS-69786b79-2
0.451
MAT-POS-566864e2-1
0.451
MAT-POS-566864e2-2
0.451
MAT-POS-e75f6e44-1
0.451
JAG-UCB-f37eaa14-7
0.450
LUO-POS-ed2cfb03-1
0.450
PET-UNK-14142a25-10
0.450
EDJ-MED-8bb691af-8
0.450
MIK-ENA-37e0b697-1
0.450
PET-UNK-14142a25-1
0.450
LUO-POS-9931618f-1
0.450
LUO-POS-9931618f-2
0.450
MIK-ENA-794411b8-1
0.450
EDJ-MED-7587a9ee-4
0.450
ALP-POS-ecbed2ba-9
0.447
VLA-UNK-5d8210f0-1
0.446
EDJ-MED-accc2c4d-3
0.446
EDJ-MED-accc2c4d-4
0.446
EDJ-MED-3707c4bc-1
0.446
EDJ-MED-3707c4bc-2
0.446
ALP-POS-c3a90b22-6
0.446
MAT-POS-11ebe265-1
0.446
ALP-UNI-dbb9503d-1
0.444
MAT-POS-e75f6e44-20
0.444
EDJ-MED-7587a9ee-2
0.444
MAT-POS-e75f6e44-7
0.443
ALP-POS-ecbed2ba-5
0.443
EDJ-MED-5cd3920d-6
0.443
EDJ-MED-33064c06-15
0.443
VLA-UNK-61877630-10
0.443
ALP-POS-ecbed2ba-17
0.443
MAT-POS-e75f6e44-17
0.443
MAT-POS-8695a11f-1
0.443
MAT-POS-8695a11f-3
0.443
MAT-POS-d8472c4f-1
0.443
EDJ-MED-976a33d5-3
0.442
EDJ-MED-0d144977-2
0.442
ALP-POS-4483ae88-2
0.442
MAT-POS-69786b79-3
0.442
ALP-POS-c3a90b22-5
0.442
JAG-UCB-f37eaa14-8
0.442
ALP-POS-133e7cd9-1
0.441
PET-UNK-aa57768f-6
0.441
PET-UNK-aa57768f-12
0.441
JOH-MSK-4bb3d434-1
0.441
VLA-UNK-c65c1026-4
0.441
VLA-UNK-70dd90ef-1
0.441
ALP-POS-ecbed2ba-8
0.440