Molecular Properties | |
SMILES: | CN1C[C@@H](c2cccc(Cl)c2)C(=O)N(c2cncc3ccccc23)C1=O |
MW: | 365.09 |
Fraction sp3: | 0.15 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 53.51 |
cLogP: | 4.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-7a31b064-2
0.723
VLA-UCB-1dbca3b4-6
0.634
VLA-UCB-1dbca3b4-10
0.624
PET-UNK-689df078-1
0.624
PET-UNK-abc197b8-1
0.605
VLA-UCB-1dbca3b4-18
0.605
PET-UNK-7a31b064-3
0.583
PET-UNK-7b413b46-4
0.573
PET-UNK-7b413b46-8
0.573
PET-UNK-4dc48bbe-6
0.558
VLA-UCB-1dbca3b4-17
0.558
PET-UNK-689df078-4
0.557
PET-UNK-689df078-3
0.545
PET-UNK-7b413b46-2
0.540
PET-UNK-7b413b46-6
0.540
EDG-MED-5d232de5-7
0.534
EDG-MED-5d232de5-8
0.534
PET-UNK-c9c1e0d8-4
0.534
GIA-UNK-80c9bc96-1
0.534
VLA-UNK-db5e3064-2
0.523
PET-UNK-c9c1e0d8-3
0.522
PET-UNK-7b413b46-1
0.516
PET-UNK-7b413b46-5
0.516
PET-UNK-7b413b46-3
0.516
PET-UNK-7b413b46-7
0.516
PET-UNK-7a31b064-5
0.512
PET-UNK-689df078-2
0.511
VLA-UNK-db5e3064-1
0.511
MIC-UNK-0a05c952-1
0.511
PET-UNK-5ddd54c7-2
0.505
PET-UNK-3e354a91-1
0.505
MIC-UNK-0a05c952-2
0.505
VLA-UCB-1dbca3b4-12
0.500
BEN-DND-d1eb1f41-7
0.489
MAT-POS-24589f88-14
0.489
VLA-UCB-1dbca3b4-3
0.472
PET-UNK-194f9da3-2
0.469
DAR-DIA-b80f1cd7-1
0.457
DAR-DIA-f6ee7aeb-1
0.453
VLA-UCB-1dbca3b4-13
0.452
PET-UNK-431b3bfb-1
0.448
ALP-UNI-58319883-2
0.448
PET-UNK-194f9da3-1
0.444
MIC-UNK-d854bf4c-7
0.438
MIC-UNK-d854bf4c-5
0.438
PET-UNK-4dc48bbe-8
0.429
MIC-UNK-d854bf4c-3
0.429
MIC-UNK-d854bf4c-1
0.429
PET-UNK-5ddd54c7-1
0.426
DAR-DIA-b80f1cd7-2
0.424
DAR-DIA-0f7b7cd9-7
0.424
ALP-UNI-dbb9503d-1
0.423
MIC-UNK-9582b2c5-1
0.421
MAT-POS-1f3f1a6f-5
0.419
DAR-DIA-b80f1cd7-14
0.419
PET-UNK-7be94445-2
0.418
PET-UNK-7a31b064-4
0.417
DAR-DIA-f6ee7aeb-6
0.413
VLA-UNK-83c3754c-2
0.412
DAR-DIA-b80f1cd7-13
0.410
PET-UNK-7be94445-1
0.409
ALP-UNI-dbb9503d-2
0.406
DAR-DIA-b80f1cd7-10
0.406
DAR-DIA-b80f1cd7-11
0.406
EDJ-MED-7587a9ee-1
0.402
MAT-POS-2e8b2191-8
0.402
DAR-DIA-b80f1cd7-12
0.402
DAR-DIA-b80f1cd7-9
0.402
MIC-UNK-50cce87d-8
0.400
DAR-DIA-b80f1cd7-4
0.398
DAR-DIA-b80f1cd7-3
0.398
MIC-UNK-50cce87d-12
0.398
BEN-BAS-c2bc0d80-7
0.396
DAR-DIA-b80f1cd7-5
0.394
DAR-DIA-b80f1cd7-7
0.394
DAR-DIA-b80f1cd7-6
0.394
JOH-MSK-51c67e7d-2
0.394
JOH-MSK-51c67e7d-1
0.394
BEN-DND-d1eb1f41-15
0.394
DAR-DIA-0f7b7cd9-5
0.392
DAR-DIA-5d6f1b43-3
0.392
MAT-POS-d8472c4f-1
0.392
MAT-POS-8695a11f-1
0.392
DAR-DIA-0f7b7cd9-4
0.392
PET-UNK-94460c07-1
0.392
MAT-POS-8695a11f-3
0.392
DAR-DIA-b80f1cd7-8
0.391
DAR-DIA-5d6f1b43-8
0.388
VLA-UNK-70dd90ef-2
0.386
MIC-UNK-50cce87d-9
0.386
MIC-UNK-9582b2c5-3
0.385
VLA-UNK-cf7facf1-1
0.385
VLA-UCB-34f3ed0c-11
0.385
VLA-UCB-29506327-1
0.385
MAT-POS-ddfe83c6-5
0.384
MIC-UNK-50cce87d-5
0.384
MIC-UNK-50cce87d-10
0.384
MIC-UNK-50cce87d-11
0.382
DAR-DIA-5d6f1b43-1
0.381
PET-UNK-4dc48bbe-4
0.381