Molecular Properties | |
SMILES: | O=C1NCC(c2cccc(Cl)c2)C(=O)N1c1cncc2ccccc12 |
MW: | 351.08 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 62.3 |
cLogP: | 3.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-4dc48bbe-8
PET-UNK-4dc48bbe-6
PET-UNK-4dc48bbe-2
PET-UNK-4dc48bbe-4
PET-UNK-4dc48bbe-7
PET-UNK-4dc48bbe-3
PET-UNK-4dc48bbe-5
PET-UNK-4dc48bbe-1
PET-UNK-4dc48bbe-9
PET-UNK-689df078-2
PET-UNK-689df078-4
PET-UNK-689df078-1
PET-UNK-689df078-3
PET-UNK-7a31b064-3
PET-UNK-7a31b064-2
PET-UNK-7a31b064-6
PET-UNK-7a31b064-1
PET-UNK-7a31b064-5
PET-UNK-7a31b064-4
PET-UNK-94460c07-6
PET-UNK-94460c07-5
PET-UNK-94460c07-3
PET-UNK-94460c07-4
PET-UNK-94460c07-1
PET-UNK-94460c07-2
PET-UNK-4c71d490-7
PET-UNK-4c71d490-4
PET-UNK-4c71d490-3
PET-UNK-4c71d490-1
PET-UNK-4c71d490-6
PET-UNK-4c71d490-5
PET-UNK-4c71d490-2
PET-UNK-4c71d490-8
PET-UNK-143b31ee-6
PET-UNK-143b31ee-5
PET-UNK-143b31ee-3
PET-UNK-143b31ee-2
PET-UNK-143b31ee-1
PET-UNK-143b31ee-4
PET-UNK-eeb64427-6
PET-UNK-eeb64427-5
PET-UNK-eeb64427-4
PET-UNK-eeb64427-2
PET-UNK-eeb64427-1
PET-UNK-eeb64427-3
PET-UNK-abc197b8-1
1.000
VLA-UCB-1dbca3b4-6
0.650
PET-UNK-7b413b46-2
0.630
PET-UNK-7b413b46-6
0.630
PET-UNK-689df078-1
0.619
VLA-UCB-1dbca3b4-10
0.619
PET-UNK-4dc48bbe-6
0.610
VLA-UCB-1dbca3b4-17
0.610
PET-UNK-7a31b064-1
0.605
PET-UNK-7a31b064-2
0.584
PET-UNK-eda34f30-1
0.580
PET-UNK-689df078-3
0.576
PET-UNK-689df078-4
0.552
EDG-MED-5d232de5-7
0.547
EDG-MED-5d232de5-8
0.547
PET-UNK-c9c1e0d8-4
0.547
GIA-UNK-80c9bc96-1
0.547
PET-UNK-7b413b46-1
0.545
PET-UNK-7b413b46-5
0.545
VLA-UNK-db5e3064-2
0.535
PET-UNK-c9c1e0d8-3
0.534
PET-UNK-689df078-2
0.522
VLA-UNK-db5e3064-1
0.522
MIC-UNK-0a05c952-1
0.522
PET-UNK-7b413b46-4
0.516
PET-UNK-7b413b46-8
0.516
PET-UNK-5ddd54c7-2
0.516
PET-UNK-3e354a91-1
0.516
MIC-UNK-0a05c952-2
0.516
PET-UNK-7b413b46-3
0.511
PET-UNK-7b413b46-7
0.511
PET-UNK-4dc48bbe-1
0.506
PET-UNK-4dc48bbe-8
0.488
PET-UNK-194f9da3-1
0.484
BEN-DND-d1eb1f41-7
0.484
MAT-POS-24589f88-14
0.484
VLA-UCB-1dbca3b4-12
0.480
MAT-POS-1f3f1a6f-5
0.477
VLA-UCB-1dbca3b4-3
0.466
PET-UNK-194f9da3-2
0.464
ALP-UNI-58319883-2
0.457
PET-UNK-431b3bfb-1
0.457
MIC-UNK-d854bf4c-3
0.451
DAR-DIA-f6ee7aeb-1
0.448
VLA-UCB-1dbca3b4-13
0.446
MIC-UNK-d854bf4c-1
0.437
DAR-DIA-b80f1cd7-1
0.436
PET-UNK-5ddd54c7-1
0.434
DAR-DIA-f6ee7aeb-6
0.434
DAR-DIA-0f7b7cd9-7
0.433
MIC-UNK-d854bf4c-7
0.433
DAR-DIA-b80f1cd7-13
0.431
VLA-UNK-c65c1026-4
0.429
MIC-UNK-9582b2c5-1
0.429
DAR-DIA-b80f1cd7-14
0.427
VLA-UNK-70dd90ef-2
0.423
MIC-UNK-d854bf4c-5
0.419
DAR-DIA-b80f1cd7-3
0.419
DAR-DIA-b80f1cd7-2
0.418
ALP-UNI-dbb9503d-1
0.417
YVE-CNR-7d92d73e-1
0.416
DAR-DIA-b80f1cd7-6
0.415
MAT-POS-8695a11f-3
0.415
MAT-POS-8695a11f-1
0.415
MAT-POS-d8472c4f-1
0.415
VLA-UNK-70dd90ef-1
0.414
DAR-DIA-b80f1cd7-10
0.413
DAR-DIA-b80f1cd7-11
0.413
VLA-UNK-c65c1026-6
0.412
VLA-UNK-c65c1026-3
0.412
PET-UNK-7be94445-2
0.411
DAR-DIA-b80f1cd7-12
0.410
VLA-UNK-cf7facf1-1
0.406
VLA-UCB-29506327-1
0.406
VLA-UCB-34f3ed0c-11
0.406
DAR-DIA-b80f1cd7-4
0.406
PET-UNK-7be94445-1
0.402
DAR-DIA-0f7b7cd9-6
0.402
DAR-DIA-b80f1cd7-5
0.402
ALP-UNI-dbb9503d-2
0.400
VLA-UNK-83c3754c-1
0.400
DAR-DIA-0f7b7cd9-4
0.400
DAR-DIA-0f7b7cd9-5
0.400
VLA-UCB-34f3ed0c-12
0.400
VLA-UNK-70dd90ef-3
0.400
VLA-UNK-70dd90ef-4
0.400
DAR-DIA-b80f1cd7-9
0.396
EDJ-MED-96f6b92c-1
0.394
VLA-MRT-8c78ee15-1
0.392
VLA-MRT-a639d434-3
0.392
VLA-MRT-8c78ee15-2
0.392
MIC-UNK-50cce87d-10
0.392
PET-UNK-e8933450-1
0.392
MIC-UNK-50cce87d-6
0.389
DAR-DIA-5d6f1b43-1
0.389
DAR-DIA-b80f1cd7-7
0.389
JOH-MSK-1f2dff76-4
0.388
JOH-MSK-1f2dff76-3
0.388
BEN-DND-d1eb1f41-15
0.388
MIC-UNK-0a05c952-3
0.388