Molecular Properties | |
SMILES: | O=C1N(c2cncc3ccccc23)CC[C@]12CNc1ccc(Cl)cc12 |
MW: | 349.1 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 45.23 |
cLogP: | 3.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JAG-UCB-f37eaa14-2
1.000
DAR-DIA-6be260fc-6
0.819
DAR-DIA-6be260fc-5
0.724
VLA-UNK-c65c1026-3
0.667
EDJ-MED-f9b78f78-4
0.628
ALP-POS-e0fe77e5-13
0.628
ALP-POS-4483ae88-1
0.628
VLA-UNK-c65c1026-4
0.622
MAT-POS-a9372f04-1
0.611
JAG-UCB-f37eaa14-3
0.598
JAG-UCB-f37eaa14-5
0.569
EDJ-MED-159244ea-1
0.568
ALP-POS-477dc5b7-4
0.568
EDJ-MED-d4864bdc-3
0.568
ALP-POS-41e2080f-1
0.568
EDJ-MED-94fddcec-4
0.568
MAT-POS-983b399a-1
0.568
DAR-DIA-6be260fc-3
0.552
DAR-DIA-6be260fc-4
0.551
EDJ-MED-7587a9ee-3
0.545
JAG-UCB-f37eaa14-6
0.545
VLA-UNK-3bd6fc51-1
0.545
JAG-UCB-f37eaa14-8
0.543
JAG-UCB-f37eaa14-9
0.540
YVE-CNR-132fc2df-1
0.536
ALP-POS-ecbed2ba-20
0.535
PET-UNK-aa57768f-3
0.535
PET-UNK-aa57768f-9
0.535
PET-UNK-aa57768f-2
0.535
PET-UNK-aa57768f-8
0.535
LUO-POS-e1dab717-19
0.535
JAG-UCB-f37eaa14-4
0.533
JAG-UCB-f37eaa14-1
0.531
DAR-DIA-6be260fc-2
0.530
LUO-POS-ed2cfb03-2
0.529
JOH-MSK-4bb3d434-1
0.529
PET-UNK-aa57768f-1
0.528
PET-UNK-aa57768f-7
0.528
EDJ-MED-0d144977-5
0.528
MAT-POS-c7726e07-5
0.524
MIK-ENA-794411b8-1
0.524
EDJ-MED-8bb691af-4
0.524
PET-UNK-14142a25-10
0.524
EDJ-MED-8bb691af-8
0.524
LUO-POS-868e8996-11
0.524
MAT-POS-c7726e07-6
0.524
LUO-POS-9931618f-1
0.524
LUO-POS-9931618f-2
0.524
LUO-POS-868e8996-12
0.524
PET-UNK-14142a25-1
0.524
MIK-ENA-37e0b697-1
0.524
MAT-POS-566864e2-3
0.524
MAT-POS-566864e2-4
0.524
LUO-POS-e1dab717-1
0.524
ALP-POS-ecbed2ba-7
0.524
MAT-POS-69786b79-1
0.524
MAT-POS-576f7758-1
0.524
VLA-UNK-70dd90ef-1
0.521
PET-UNK-6af7266d-1
0.519
PET-UNK-6af7266d-3
0.519
PET-UNK-37c7074c-1
0.519
PET-UNK-37c7074c-3
0.519
PET-UNK-37c7074c-2
0.519
PET-UNK-37c7074c-4
0.519
EDJ-MED-0d144977-1
0.519
VLA-UNK-c65c1026-1
0.515
EDJ-MED-976a33d5-3
0.514
EDJ-MED-cc48ee33-3
0.514
ALP-POS-c3a90b22-2
0.514
EDJ-MED-0d144977-2
0.514
ALP-POS-c3a90b22-5
0.514
JAG-UCB-f37eaa14-7
0.509
EDJ-MED-40e596c8-1
0.509
LUO-POS-ed2cfb03-1
0.509
EDJ-MED-976a33d5-1
0.509
LUO-POS-e1dab717-2
0.509
MAT-POS-576f7758-2
0.509
MAT-POS-e48723dc-2
0.509
MAT-POS-e48723dc-1
0.509
EDJ-MED-accc2c4d-4
0.505
ALP-POS-ecbed2ba-3
0.505
ALP-POS-ecbed2ba-18
0.505
PET-UNK-94036022-3
0.505
PET-UNK-94036022-10
0.505
EDJ-MED-accc2c4d-3
0.505
EDJ-MED-3707c4bc-1
0.505
EDJ-MED-3707c4bc-2
0.505
ALP-POS-c3a90b22-6
0.505
EDJ-MED-cc48ee33-7
0.505
PET-UNK-7e9559de-1
0.505
ALP-POS-c3a90b22-7
0.505
PET-UNK-7e9559de-4
0.505
MAT-POS-96396902-1
0.505
MAT-POS-e75f6e44-3
0.505
EDJ-MED-0d144977-3
0.505
EDJ-MED-9f4ac58c-2
0.500
ALP-POS-c3a90b22-1
0.500
EDJ-MED-5cd3920d-5
0.500
ALP-POS-c3a90b22-10
0.500
MAT-POS-69786b79-3
0.500