Molecular Properties | |
SMILES: | O=C1N(c2cncc3ccccc23)CC[C@]12CN(CCn1ccnc1)c1ccc(Cl)cc12 |
MW: | 443.15 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 54.26 |
cLogP: | 4.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JAG-UCB-f37eaa14-5
0.740
JAG-UCB-f37eaa14-4
0.699
JAG-UCB-f37eaa14-9
0.570
JAG-UCB-f37eaa14-6
0.560
EDJ-MED-0d144977-5
0.557
PET-UNK-aa57768f-2
0.550
PET-UNK-aa57768f-3
0.550
PET-UNK-aa57768f-8
0.550
PET-UNK-aa57768f-9
0.550
PET-UNK-94036022-10
0.549
EDJ-MED-accc2c4d-3
0.549
PET-UNK-94036022-3
0.549
DAR-DIA-6be260fc-5
0.547
JOH-MSK-4bb3d434-1
0.545
EDJ-MED-0d144977-2
0.544
PET-UNK-aa57768f-1
0.544
PET-UNK-aa57768f-7
0.544
ALP-POS-c3a90b22-5
0.544
JAG-UCB-f37eaa14-2
0.543
DAR-DIA-6be260fc-1
0.543
PET-UNK-14142a25-10
0.541
EDJ-MED-8bb691af-8
0.541
MIK-ENA-37e0b697-1
0.541
PET-UNK-14142a25-1
0.541
LUO-POS-9931618f-1
0.541
LUO-POS-9931618f-2
0.541
MIK-ENA-794411b8-1
0.541
JAG-UCB-f37eaa14-7
0.540
ALP-POS-ecbed2ba-20
0.536
LUO-POS-e1dab717-19
0.536
PET-UNK-37c7074c-1
0.535
PET-UNK-37c7074c-3
0.535
ALP-POS-ecbed2ba-18
0.535
EDJ-MED-cc48ee33-7
0.534
EDJ-MED-0d144977-3
0.534
JAG-UCB-f37eaa14-3
0.533
EDJ-MED-7587a9ee-3
0.532
LUO-POS-ed2cfb03-2
0.532
VLA-UNK-3bd6fc51-1
0.532
EDJ-MED-cc48ee33-3
0.530
LUO-POS-868e8996-11
0.527
MAT-POS-c7726e07-5
0.527
LUO-POS-868e8996-12
0.527
MAT-POS-c7726e07-6
0.527
EDJ-MED-8bb691af-4
0.527
EDJ-MED-40e596c8-1
0.526
EDJ-MED-159244ea-1
0.523
ALP-POS-477dc5b7-4
0.523
MAT-POS-983b399a-1
0.523
PET-UNK-37c7074c-2
0.522
PET-UNK-37c7074c-4
0.522
PET-UNK-6af7266d-1
0.522
PET-UNK-6af7266d-3
0.522
EDJ-MED-3707c4bc-1
0.522
EDJ-MED-3707c4bc-2
0.522
ALP-POS-c3a90b22-6
0.522
EDJ-MED-4cb9dd84-1
0.521
EDJ-MED-40e596c8-5
0.521
EDJ-MED-40e596c8-4
0.521
EDJ-MED-0d144977-4
0.517
EDJ-MED-40e596c8-2
0.517
ALP-POS-ecbed2ba-17
0.517
MAT-POS-576f7758-1
0.513
MAT-POS-69786b79-1
0.513
ALP-POS-ecbed2ba-7
0.513
LUO-POS-e1dab717-1
0.513
LUO-POS-ed2cfb03-1
0.513
MAT-POS-566864e2-3
0.513
MAT-POS-566864e2-4
0.513
MIK-ENA-1494235a-1
0.513
MIK-ENA-4ed700b1-1
0.513
ALP-POS-ecbed2ba-14
0.513
ALP-POS-ecbed2ba-12
0.513
MIK-ENA-4a1c9a78-1
0.513
EDJ-MED-33064c06-2
0.513
EDJ-MED-33064c06-18
0.513
MAT-POS-566864e2-1
0.513
MAT-POS-566864e2-2
0.513
EDJ-MED-accc2c4d-1
0.513
ALP-POS-41e2080f-1
0.509
EDJ-MED-d4864bdc-3
0.509
EDJ-MED-94fddcec-4
0.509
ALP-POS-ecbed2ba-3
0.509
ALP-POS-ecbed2ba-19
0.508
PET-UNK-7e9559de-1
0.508
MAT-POS-96396902-1
0.508
EDJ-MED-33064c06-8
0.508
EDJ-MED-6b23330e-1
0.508
EDJ-MED-6b23330e-2
0.508
PET-UNK-7e9559de-4
0.508
EDJ-MED-0d144977-1
0.508
ALP-POS-ecbed2ba-21
0.508
ALP-POS-c3a90b22-11
0.508
EDJ-MED-40e596c8-3
0.508
EDJ-MED-33064c06-16
0.508
MAT-POS-e75f6e44-10
0.508
MAT-POS-69786b79-3
0.504
ALP-POS-c3a90b22-2
0.504
EDJ-MED-3af0740c-1
0.504
EDJ-MED-cc48ee33-5
0.504