Molecular Properties | |
SMILES: | CCN1C[C@@H](c2cccc(Cl)c2)C(=O)N(c2cncc3ccccc23)C1=O |
MW: | 379.11 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 53.51 |
cLogP: | 4.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-7a31b064-1
0.723
VLA-UCB-1dbca3b4-6
0.631
PET-UNK-689df078-1
0.602
VLA-UCB-1dbca3b4-10
0.602
PET-UNK-7a31b064-4
0.598
PET-UNK-abc197b8-1
0.584
VLA-UCB-1dbca3b4-18
0.584
PET-UNK-7b413b46-4
0.571
PET-UNK-7b413b46-8
0.571
VLA-UCB-1dbca3b4-17
0.539
PET-UNK-4dc48bbe-6
0.539
PET-UNK-689df078-4
0.538
PET-UNK-7a31b064-6
0.534
PET-UNK-689df078-3
0.527
PET-UNK-7b413b46-6
0.522
VLA-UNK-db5e3064-2
0.522
PET-UNK-7b413b46-2
0.522
EDG-MED-5d232de5-7
0.516
GIA-UNK-80c9bc96-1
0.516
PET-UNK-c9c1e0d8-4
0.516
EDG-MED-5d232de5-8
0.516
PET-UNK-7b413b46-1
0.516
PET-UNK-7b413b46-5
0.516
PET-UNK-7b413b46-3
0.516
PET-UNK-7b413b46-7
0.516
VLA-UNK-db5e3064-1
0.511
PET-UNK-689df078-2
0.511
PET-UNK-c9c1e0d8-3
0.505
MIC-UNK-0a05c952-2
0.505
VLA-UCB-1dbca3b4-12
0.500
PET-UNK-3e354a91-1
0.490
PET-UNK-5ddd54c7-2
0.490
MIC-UNK-0a05c952-1
0.480
DAR-DIA-b80f1cd7-1
0.474
BEN-DND-d1eb1f41-7
0.458
MAT-POS-24589f88-14
0.458
VLA-UCB-1dbca3b4-3
0.457
DAR-DIA-b80f1cd7-2
0.455
PET-UNK-431b3bfb-1
0.449
ALP-UNI-58319883-2
0.449
MIC-UNK-d854bf4c-1
0.443
MIC-UNK-d854bf4c-3
0.443
PET-UNK-194f9da3-2
0.441
DAR-DIA-f6ee7aeb-1
0.440
MIC-UNK-d854bf4c-5
0.439
MIC-UNK-d854bf4c-7
0.439
VLA-UCB-1dbca3b4-13
0.438
DAR-DIA-b80f1cd7-7
0.435
PET-UNK-194f9da3-1
0.431
DAR-DIA-b80f1cd7-8
0.431
PET-UNK-5ddd54c7-1
0.427
DAR-DIA-b80f1cd7-3
0.426
DAR-DIA-b80f1cd7-4
0.426
MIC-UNK-9582b2c5-1
0.422
DAR-DIA-b80f1cd7-5
0.422
DAR-DIA-b80f1cd7-6
0.422
DAR-DIA-b80f1cd7-11
0.421
DAR-DIA-b80f1cd7-14
0.421
PET-UNK-7a31b064-3
0.417
DAR-DIA-b80f1cd7-9
0.417
MIC-UNK-50cce87d-8
0.416
PET-UNK-4dc48bbe-8
0.415
MIC-UNK-50cce87d-12
0.413
DAR-DIA-b80f1cd7-13
0.411
DAR-DIA-0f7b7cd9-7
0.411
DAR-DIA-b80f1cd7-10
0.407
MAT-POS-1f3f1a6f-5
0.406
PET-UNK-7be94445-2
0.404
DAR-DIA-b80f1cd7-12
0.404
DAR-DIA-f6ee7aeb-6
0.402
PET-UNK-94460c07-2
0.398
ALP-UNI-dbb9503d-1
0.396
PET-UNK-7be94445-1
0.396
DAR-DIA-0f7b7cd9-5
0.394
MIC-UNK-9582b2c5-3
0.387
VLA-UNK-83c3754c-2
0.387
MIC-UNK-eb20c3e1-4
0.385
MIC-UNK-eb20c3e1-1
0.383
MIC-UNK-eb20c3e1-2
0.381
ALP-UNI-dbb9503d-2
0.381
MAT-POS-8695a11f-1
0.380
DAR-DIA-5d6f1b43-3
0.380
MAT-POS-8695a11f-3
0.380
MAT-POS-d8472c4f-1
0.380
DAR-DIA-0f7b7cd9-4
0.380
EDJ-MED-24007d8a-1
0.379
EDJ-MED-24007d8a-2
0.378
DAR-DIA-5d6f1b43-10
0.377
DAR-DIA-5d6f1b43-8
0.376
EDJ-MED-a6bd6de0-1
0.375
EDJ-MED-b0f3342b-1
0.375
MIC-UNK-50cce87d-9
0.375
VLA-UNK-70dd90ef-2
0.375
MAT-POS-ddfe83c6-5
0.374
VLA-UNK-cf7facf1-1
0.374
VLA-UCB-29506327-1
0.374
VLA-UCB-34f3ed0c-11
0.374
EDJ-MED-cbbe2dbb-3
0.373
BEN-BAS-c2bc0d80-7
0.373
MIC-UNK-50cce87d-5
0.373