Molecular Properties | |
SMILES: | O=C1N(c2cncc3ccccc23)CC[C@]12COc1cc(F)c(Cl)cc12 |
MW: | 368.07 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 42.43 |
cLogP: | 4.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JAG-UCB-f37eaa14-3
0.733
VLA-UNK-3a43cd95-4
0.634
VLA-UNK-c65c1026-1
0.617
MAT-POS-983b399a-1
0.573
ALP-POS-477dc5b7-4
0.573
EDJ-MED-159244ea-1
0.573
VLA-UNK-3a43cd95-2
0.557
MAT-POS-8293a91a-8
0.557
VLA-UNK-3a43cd95-3
0.556
VLA-UNK-5d8210f0-2
0.547
VLA-UNK-61877630-5
0.533
VLA-UNK-8e615992-2
0.533
DAR-DIA-6be260fc-1
0.531
JAG-UCB-f37eaa14-2
0.531
ALP-POS-e0fe77e5-4
0.530
VLA-UNK-3a43cd95-1
0.530
VLA-UNK-f2612802-2
0.528
EDJ-MED-d4864bdc-3
0.525
EDJ-MED-94fddcec-4
0.525
ALP-POS-41e2080f-1
0.525
VLA-UNK-e334495f-2
0.518
VLA-UNK-61877630-8
0.518
DAR-DIA-6be260fc-5
0.505
MAT-POS-e20a5dfb-2
0.505
ALP-POS-e0fe77e5-7
0.505
MAT-POS-e20a5dfb-1
0.505
ALP-POS-477dc5b7-5
0.505
JAG-UCB-f37eaa14-6
0.505
JAG-UCB-f37eaa14-9
0.500
MAT-POS-a9372f04-1
0.500
ALP-POS-afe0272e-1
0.495
PET-UNK-aa57768f-2
0.495
PET-UNK-aa57768f-9
0.495
PET-UNK-aa57768f-3
0.495
PET-UNK-aa57768f-8
0.495
VLA-UNK-3bd6fc51-1
0.491
ALP-POS-4483ae88-1
0.490
EDJ-MED-f9b78f78-4
0.490
EDJ-MED-7587a9ee-3
0.490
EDJ-MED-40e596c8-1
0.486
PET-UNK-37c7074c-1
0.482
PET-UNK-37c7074c-3
0.482
ALP-POS-ecbed2ba-20
0.481
LUO-POS-e1dab717-19
0.481
LUO-POS-ed2cfb03-2
0.477
VLA-UNK-c65c1026-2
0.476
JAG-UCB-f37eaa14-7
0.473
LUO-POS-9931618f-1
0.472
LUO-POS-9931618f-2
0.472
MAT-POS-c7726e07-5
0.472
LUO-POS-868e8996-11
0.472
LUO-POS-868e8996-12
0.472
MAT-POS-c7726e07-6
0.472
PET-UNK-14142a25-1
0.472
MIK-ENA-37e0b697-1
0.472
ALP-POS-afe0272e-2
0.472
MIK-ENA-794411b8-1
0.472
EDJ-MED-8bb691af-4
0.472
EDJ-MED-8bb691af-8
0.472
PET-UNK-14142a25-10
0.472
DAR-DIA-6be260fc-6
0.471
ALP-POS-ecbed2ba-19
0.469
ALP-POS-ecbed2ba-18
0.468
VLA-UNK-61877630-4
0.468
VLA-UNK-5d8210f0-1
0.468
PET-UNK-37c7074c-2
0.468
PET-UNK-37c7074c-4
0.468
VLA-UNK-8e615992-1
0.468
EDJ-MED-3707c4bc-2
0.468
ALP-POS-e0fe77e5-10
0.466
VLA-UNK-61877630-10
0.465
EDJ-MED-5cd3920d-6
0.465
ALP-POS-c3a90b22-4
0.465
PET-UNK-aa57768f-7
0.464
PET-UNK-aa57768f-1
0.464
ALP-POS-c3a90b22-2
0.464
ALP-POS-4483ae88-2
0.464
EDJ-MED-cc48ee33-3
0.464
JOH-MSK-4bb3d434-1
0.464
BRU-THA-ae0174a8-1
0.460
ALP-POS-ecbed2ba-10
0.460
EDJ-MED-4138fde9-8
0.460
MAT-POS-69786b79-1
0.459
LUO-POS-e1dab717-1
0.459
LUO-POS-ed2cfb03-1
0.459
MAT-POS-566864e2-3
0.459
MAT-POS-566864e2-4
0.459
ALP-POS-ecbed2ba-7
0.459
MAT-POS-576f7758-1
0.459
JAG-UCB-f37eaa14-5
0.459
EDJ-MED-98c0a822-2
0.457
EDJ-MED-33064c06-13
0.457
ALP-POS-c3a90b22-3
0.457
VLA-UNK-e334495f-1
0.457
EDJ-MED-98c0a822-4
0.457
VLA-UNK-61877630-7
0.457
ALP-POS-ecbed2ba-9
0.456
MIK-ENA-5d9157e9-1
0.456
MIK-ENA-5d9157e9-2
0.456
EDJ-MED-0d144977-1
0.456