Molecular Properties | |
SMILES: | CC(C)[C@H]1CN(c2cncc3ccccc23)C(=O)C12CNc1ccc(Cl)cc12 |
MW: | 391.15 |
Fraction sp3: | 0.3 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 45.23 |
cLogP: | 4.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-6be260fc-2
0.707
DAR-DIA-6be260fc-3
0.700
MAT-POS-50a80394-6
0.566
DAR-DIA-6be260fc-1
0.551
JAG-UCB-f37eaa14-2
0.551
DAR-DIA-6be260fc-6
0.550
MAT-POS-b3212acf-1
0.526
MAT-POS-50a80394-3
0.526
VLA-UNK-c65c1026-4
0.515
DAR-DIA-6be260fc-5
0.510
ALP-POS-e0fe77e5-13
0.510
VLA-UNK-70dd90ef-1
0.485
VLA-UNK-c65c1026-3
0.481
MAT-POS-a9372f04-1
0.475
YVE-CNR-132fc2df-1
0.471
MAT-POS-50a80394-4
0.459
MAT-POS-50a80394-5
0.459
MIK-ENA-99706bb8-1
0.445
MIK-ENA-17e27e9c-1
0.445
MIK-ENA-623fe2a6-1
0.445
MIK-ENA-2c0ad173-1
0.445
MIK-ENA-be04d1d4-1
0.445
MIK-ENA-e143773d-1
0.445
MIK-ENA-edcfce18-1
0.445
MIK-ENA-0547b12c-1
0.445
MAT-POS-50a80394-1
0.445
MAT-POS-50a80394-2
0.445
BRU-THA-55eab31a-1
0.443
VLA-UNK-5d8210f0-5
0.440
EDJ-MED-3707c4bc-1
0.435
EDJ-MED-7587a9ee-2
0.432
MIC-UNK-257d841f-2
0.431
YVE-CNR-7d92d73e-1
0.430
ALP-POS-4483ae88-1
0.427
EDJ-MED-7587a9ee-3
0.427
EDJ-MED-f9b78f78-4
0.427
JAG-UCB-f37eaa14-7
0.426
JAG-UCB-f37eaa14-3
0.425
VLA-UNK-70dd90ef-2
0.423
EDJ-MED-3707c4bc-2
0.422
EDJ-MED-159244ea-3
0.421
MAT-POS-983b399a-3
0.421
ALP-POS-ce760d3f-8
0.420
MAT-POS-b3212acf-2
0.418
MIC-UNK-257d841f-1
0.418
BEN-DND-d1eb1f41-15
0.417
DAR-DIA-0f7b7cd9-9
0.417
EDJ-MED-159244ea-1
0.417
MAT-POS-983b399a-1
0.417
ALP-POS-ecbed2ba-13
0.417
ALP-POS-477dc5b7-4
0.417
LUO-POS-ed2cfb03-2
0.416
JAG-UCB-f37eaa14-6
0.416
ALP-POS-ecbed2ba-10
0.415
EDJ-MED-4138fde9-8
0.415
VLA-UNK-70dd90ef-3
0.415
ALP-POS-e0fe77e5-7
0.414
MAT-POS-e20a5dfb-1
0.414
MAT-POS-e20a5dfb-2
0.414
ALP-POS-477dc5b7-5
0.414
MIC-UNK-c85ea37c-3
0.414
JAG-UCB-f37eaa14-5
0.414
VLA-UNK-c65c1026-1
0.413
ALP-POS-ecbed2ba-9
0.412
VLA-UNK-f2612802-1
0.412
MIC-UNK-c85ea37c-1
0.411
JAG-UCB-f37eaa14-9
0.411
ALP-POS-ecbed2ba-3
0.410
VLA-UNK-5d8210f0-4
0.410
EDJ-MED-96f6b92c-1
0.410
EDJ-MED-5cd3920d-5
0.408
VLA-UNK-8e615992-5
0.408
VLA-UNK-61877630-6
0.408
VLA-MRT-8c78ee15-1
0.407
VLA-MRT-a639d434-3
0.407
VLA-MRT-8c78ee15-2
0.407
ALP-POS-ecbed2ba-20
0.407
ALP-POS-df536be7-4
0.407
JAG-UCB-f37eaa14-8
0.407
ALP-UNI-dbb9503d-1
0.404
EDJ-MED-d4864bdc-3
0.404
ALP-POS-41e2080f-1
0.404
EDJ-MED-94fddcec-4
0.404
EDG-MED-5d232de5-7
0.402
MAT-POS-d8472c4f-1
0.402
MAT-POS-8695a11f-1
0.402
MAT-POS-8695a11f-3
0.402
GIA-UNK-80c9bc96-1
0.402
PET-UNK-c9c1e0d8-4
0.402
EDG-MED-5d232de5-8
0.402
ALP-UNI-dbb9503d-2
0.402
VLA-UCB-34f3ed0c-12
0.402
LUO-POS-ed2cfb03-1
0.402
VLA-UNK-e334495f-4
0.402
PET-UNK-431b3bfb-1
0.400
VLA-UNK-c65c1026-6
0.400
EDJ-MED-7587a9ee-4
0.400
ALP-UNI-58319883-2
0.400
EDJ-MED-8bb691af-3
0.400
ALP-POS-ecbed2ba-19
0.400