Molecular Properties | |
SMILES: | C[C@H]1CN(c2cncc3ccccc23)C(=O)C12CNc1ccc(Cl)cc12 |
MW: | 363.11 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 45.23 |
cLogP: | 4.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-6be260fc-4
0.700
DAR-DIA-6be260fc-2
0.692
DAR-DIA-6be260fc-1
0.552
JAG-UCB-f37eaa14-2
0.552
MAT-POS-50a80394-4
0.544
DAR-DIA-6be260fc-6
0.535
DAR-DIA-6be260fc-5
0.510
MAT-POS-a9372f04-1
0.505
VLA-UNK-70dd90ef-1
0.500
VLA-UNK-c65c1026-4
0.500
MIK-ENA-99706bb8-1
0.496
MIK-ENA-17e27e9c-1
0.496
MIK-ENA-623fe2a6-1
0.496
MIK-ENA-2c0ad173-1
0.496
MAT-POS-50a80394-1
0.496
ALP-POS-e0fe77e5-13
0.495
MAT-POS-50a80394-5
0.486
YVE-CNR-132fc2df-1
0.485
VLA-UNK-c65c1026-3
0.480
BRU-THA-55eab31a-1
0.471
MAT-POS-50a80394-6
0.455
MIK-ENA-be04d1d4-1
0.444
MIK-ENA-e143773d-1
0.444
MIK-ENA-edcfce18-1
0.444
MIK-ENA-0547b12c-1
0.444
MAT-POS-50a80394-2
0.444
YVE-CNR-7d92d73e-1
0.442
VLA-UNK-5d8210f0-5
0.439
JAG-UCB-f37eaa14-5
0.438
VLA-UNK-70dd90ef-2
0.436
JAG-UCB-f37eaa14-8
0.430
EDG-MED-5d232de5-7
0.429
EDJ-MED-159244ea-1
0.429
MAT-POS-b3212acf-2
0.429
MAT-POS-983b399a-1
0.429
ALP-POS-477dc5b7-4
0.429
PET-UNK-c9c1e0d8-4
0.429
MIC-UNK-257d841f-1
0.429
GIA-UNK-80c9bc96-1
0.429
EDG-MED-5d232de5-8
0.429
JAG-UCB-f37eaa14-6
0.427
VLA-UNK-70dd90ef-3
0.427
ALP-POS-4483ae88-1
0.426
EDJ-MED-f9b78f78-4
0.426
JAG-UCB-f37eaa14-3
0.423
VLA-UNK-f2612802-1
0.422
VLA-UNK-5d8210f0-4
0.421
JAG-UCB-f37eaa14-4
0.421
BEN-DND-d1eb1f41-7
0.420
PET-UNK-c9c1e0d8-3
0.420
MAT-POS-24589f88-14
0.420
VLA-MRT-a639d434-3
0.419
VLA-MRT-8c78ee15-1
0.419
VLA-MRT-8c78ee15-2
0.419
EDJ-MED-159244ea-3
0.419
MAT-POS-983b399a-3
0.419
DAR-DIA-0f7b7cd9-7
0.417
BEN-DND-d1eb1f41-15
0.416
ALP-UNI-dbb9503d-1
0.416
DAR-DIA-0f7b7cd9-9
0.415
EDJ-MED-d4864bdc-3
0.415
EDJ-MED-94fddcec-4
0.415
ALP-POS-41e2080f-1
0.415
MAT-POS-d8472c4f-1
0.414
MAT-POS-8695a11f-3
0.414
MAT-POS-8695a11f-1
0.414
ALP-POS-ecbed2ba-10
0.414
MAT-POS-b3212acf-1
0.413
MAT-POS-50a80394-3
0.413
MAT-POS-e20a5dfb-2
0.413
EDJ-MED-7587a9ee-3
0.413
ALP-POS-e0fe77e5-7
0.413
MAT-POS-e20a5dfb-1
0.413
ALP-POS-477dc5b7-5
0.413
ALP-UNI-58319883-2
0.412
PET-UNK-431b3bfb-1
0.412
VLA-UNK-c65c1026-1
0.411
PET-UNK-7be94445-2
0.411
JAG-UCB-f37eaa14-9
0.409
JOH-MSK-4bb3d434-4
0.409
EDJ-MED-96f6b92c-1
0.408
VLA-UNK-61877630-6
0.407
VLA-UNK-8e615992-5
0.407
MIC-UNK-257d841f-2
0.407
EDJ-MED-7587a9ee-2
0.405
PET-UNK-aa57768f-2
0.405
PET-UNK-aa57768f-9
0.405
PET-UNK-aa57768f-3
0.405
PET-UNK-aa57768f-8
0.405
ALP-POS-ce760d3f-8
0.404
PET-UNK-7b413b46-2
0.404
PET-UNK-7b413b46-6
0.404
JOH-MSK-4bb3d434-1
0.404
PET-UNK-7be94445-1
0.402
LUO-POS-f7b1afe6-3
0.402
LUO-POS-ed2cfb03-2
0.402
MIC-UNK-9582b2c5-1
0.402
VLA-UNK-61877630-3
0.402
VLA-UNK-8e615992-4
0.402
MIC-UNK-c85ea37c-3
0.402