Molecular Properties | |
SMILES: | CC(C)C[C@H]1CN(c2cncc3ccccc23)C(=O)C12CNc1ccc(Cl)cc12 |
MW: | 405.16 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 45.23 |
cLogP: | 5.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-6be260fc-4
0.707
DAR-DIA-6be260fc-3
0.692
JAG-UCB-f37eaa14-2
0.530
DAR-DIA-6be260fc-1
0.530
DAR-DIA-6be260fc-6
0.515
DAR-DIA-6be260fc-5
0.505
MAT-POS-50a80394-5
0.495
MAT-POS-50a80394-6
0.491
ALP-POS-e0fe77e5-13
0.491
VLA-UNK-70dd90ef-1
0.480
VLA-UNK-c65c1026-4
0.480
MAT-POS-a9372f04-1
0.471
MAT-POS-50a80394-4
0.468
YVE-CNR-132fc2df-1
0.467
VLA-UNK-c65c1026-3
0.462
VLA-UNK-5d8210f0-5
0.461
MIK-ENA-be04d1d4-1
0.454
MIK-ENA-e143773d-1
0.454
MIK-ENA-edcfce18-1
0.454
MIK-ENA-0547b12c-1
0.454
MAT-POS-50a80394-2
0.454
VLA-UNK-70dd90ef-2
0.447
BRU-THA-55eab31a-1
0.439
YVE-CNR-7d92d73e-1
0.439
VLA-UNK-70dd90ef-3
0.438
JAG-UCB-f37eaa14-5
0.435
MAT-POS-b3212acf-1
0.434
MAT-POS-50a80394-3
0.434
VLA-UNK-61877630-6
0.429
VLA-UNK-8e615992-5
0.429
MIC-UNK-257d841f-2
0.427
JAG-UCB-f37eaa14-8
0.427
MAT-POS-983b399a-1
0.426
EDJ-MED-159244ea-1
0.426
EDJ-MED-94fddcec-4
0.426
ALP-POS-41e2080f-1
0.426
EDJ-MED-d4864bdc-3
0.426
ALP-POS-477dc5b7-4
0.426
ALP-POS-4483ae88-1
0.423
EDJ-MED-f9b78f78-4
0.423
JAG-UCB-f37eaa14-7
0.422
EDJ-MED-8bb691af-3
0.421
EDJ-MED-6b23330e-1
0.420
JAG-UCB-f37eaa14-4
0.419
VLA-UNK-5d8210f0-4
0.419
EDJ-MED-3707c4bc-1
0.419
MAT-POS-50a80394-1
0.418
MIK-ENA-99706bb8-1
0.418
MIK-ENA-17e27e9c-1
0.418
MIK-ENA-623fe2a6-1
0.418
MIK-ENA-2c0ad173-1
0.418
EDJ-MED-159244ea-3
0.417
MAT-POS-983b399a-3
0.417
JOH-MSK-4bb3d434-5
0.415
MAT-POS-69786b79-3
0.415
BEN-DND-d1eb1f41-15
0.413
DAR-DIA-0f7b7cd9-9
0.413
JAG-UCB-f37eaa14-6
0.412
LUO-POS-f7b1afe6-3
0.412
EDG-MED-5d232de5-8
0.412
GIA-UNK-80c9bc96-1
0.412
EDG-MED-5d232de5-7
0.412
PET-UNK-c9c1e0d8-4
0.412
ALP-POS-477dc5b7-5
0.411
ALP-POS-e0fe77e5-7
0.411
MAT-POS-e20a5dfb-1
0.411
MAT-POS-e20a5dfb-2
0.411
VLA-UNK-e334495f-4
0.410
PET-UNK-431b3bfb-1
0.410
ALP-UNI-58319883-2
0.410
EDJ-MED-8bb691af-4
0.409
MAT-POS-c7726e07-5
0.409
LUO-POS-868e8996-11
0.409
LUO-POS-868e8996-12
0.409
MAT-POS-c7726e07-6
0.409
VLA-UNK-f2612802-1
0.408
MIC-UNK-c85ea37c-1
0.408
JAG-UCB-f37eaa14-3
0.407
JAG-UCB-f37eaa14-9
0.407
LUO-POS-f7b1afe6-4
0.405
MAT-POS-50a80394-7
0.405
BEN-DND-d1eb1f41-7
0.404
MAT-POS-24589f88-14
0.404
PET-UNK-c9c1e0d8-3
0.404
ALP-POS-df536be7-4
0.404
LUO-POS-e1dab717-19
0.404
EDJ-MED-8bb691af-9
0.403
MAT-POS-e75f6e44-8
0.403
MAT-POS-e75f6e44-9
0.403
MAT-POS-b3212acf-2
0.403
MIC-UNK-257d841f-1
0.403
ALP-POS-ce760d3f-8
0.402
JOH-MSK-4bb3d434-1
0.402
ALP-POS-133e7cd9-1
0.402
ALP-UNI-dbb9503d-1
0.400
VLA-UNK-8e615992-4
0.400
VLA-UNK-61877630-3
0.400
EDJ-MED-7587a9ee-3
0.398
EDJ-MED-6b23330e-5
0.397
MAT-POS-e75f6e44-2
0.397