Molecular Properties | |
SMILES: | N#CN1CC(c2cccc(Cl)c2)C(=O)N1c1cncc2ccccc12 |
MW: | 348.08 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 60.23 |
cLogP: | 3.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
cyanate/aminonitrile/thiocyanate
Filter86_cyanamide
Aminonitrile
PET-UNK-7b413b46-8
1.000
PET-UNK-7b413b46-3
0.741
PET-UNK-7b413b46-7
0.741
PET-UNK-7a31b064-1
0.573
PET-UNK-7a31b064-2
0.571
PET-UNK-5ddd54c7-2
0.556
PET-UNK-3e354a91-1
0.556
PET-UNK-7b413b46-6
0.540
PET-UNK-7b413b46-2
0.540
VLA-UCB-1dbca3b4-6
0.540
PET-UNK-c9c1e0d8-4
0.534
EDG-MED-5d232de5-8
0.534
EDG-MED-5d232de5-7
0.534
GIA-UNK-80c9bc96-1
0.534
PET-UNK-c9c1e0d8-3
0.522
MIC-UNK-0a05c952-2
0.521
PET-UNK-7b413b46-1
0.516
VLA-UCB-1dbca3b4-18
0.516
PET-UNK-689df078-1
0.516
PET-UNK-7b413b46-5
0.516
VLA-UCB-1dbca3b4-10
0.516
PET-UNK-abc197b8-1
0.516
PET-UNK-4dc48bbe-6
0.506
VLA-UCB-1dbca3b4-17
0.506
DAR-DIA-f6ee7aeb-1
0.495
MIC-UNK-0a05c952-1
0.495
PET-UNK-194f9da3-1
0.490
VLA-UNK-db5e3064-2
0.489
PET-UNK-194f9da3-2
0.485
PET-UNK-689df078-3
0.478
PET-UNK-5ddd54c7-1
0.469
MIC-UNK-d854bf4c-7
0.466
PET-UNK-689df078-2
0.463
VLA-UNK-db5e3064-1
0.463
BEN-DND-d1eb1f41-7
0.457
MAT-POS-24589f88-14
0.457
PET-UNK-689df078-4
0.457
MIC-UNK-d854bf4c-5
0.452
ALP-UNI-58319883-2
0.448
PET-UNK-431b3bfb-1
0.448
DAR-DIA-f6ee7aeb-6
0.439
MIC-UNK-d854bf4c-1
0.429
MIC-UNK-d854bf4c-3
0.429
VLA-UCB-1dbca3b4-12
0.429
PET-UNK-4dc48bbe-4
0.411
DAR-DIA-0f7b7cd9-6
0.409
PET-UNK-7be94445-1
0.409
MIC-UNK-9582b2c5-1
0.407
MAT-POS-8695a11f-3
0.406
DAR-DIA-0f7b7cd9-5
0.406
MAT-POS-d8472c4f-1
0.406
MAT-POS-8695a11f-1
0.406
PET-UNK-7be94445-2
0.402
DAR-DIA-b80f1cd7-1
0.398
PET-UNK-e8933450-1
0.398
DAR-DIA-b80f1cd7-2
0.396
DAR-DIA-0f7b7cd9-7
0.394
VLA-UCB-1dbca3b4-3
0.394
DAR-DIA-b80f1cd7-14
0.393
VLA-UCB-1dbca3b4-13
0.392
DAR-DIA-0f7b7cd9-4
0.392
PET-UNK-94460c07-1
0.392
EDJ-MED-96f6b92c-1
0.386
PET-UNK-4dc48bbe-8
0.383
MIC-UNK-0a05c952-4
0.382
PET-UNK-94460c07-2
0.382
DAR-DIA-5d6f1b43-1
0.381
ALP-UNI-dbb9503d-1
0.380
BEN-DND-d1eb1f41-15
0.380
ALP-UNI-3735e77e-1
0.378
ALP-POS-e0fe77e5-1
0.378
MAT-POS-1f3f1a6f-5
0.375
PET-UNK-7a31b064-4
0.374
MIC-UNK-50cce87d-9
0.373
PET-UNK-7a31b064-3
0.371
DAR-DIA-5d6f1b43-5
0.371
DAR-DIA-b80f1cd7-13
0.370
MIC-UNK-50cce87d-10
0.370
MIC-UNK-50cce87d-5
0.370
BEN-DND-d1eb1f41-8
0.369
MIC-UNK-50cce87d-6
0.367
ALP-POS-ce760d3f-8
0.367
DAR-DIA-b80f1cd7-10
0.367
DAR-DIA-b80f1cd7-11
0.367
LUO-POS-e1dab717-15
0.367
MIC-UNK-0a05c952-3
0.366
ALP-UNI-dbb9503d-2
0.365
EDJ-MED-accc2c4d-4
0.365
MIC-UNK-257d841f-1
0.364
DAR-DIA-b80f1cd7-9
0.364
DAR-DIA-b80f1cd7-12
0.364
DAR-DIA-5d6f1b43-3
0.364
MAT-POS-b3212acf-2
0.364
DAR-DIA-5d6f1b43-10
0.362
PET-UNK-7a31b064-6
0.361
DAR-DIA-b80f1cd7-3
0.360
DAR-DIA-b80f1cd7-4
0.360
DAR-DIA-5d6f1b43-8
0.360
MIC-UNK-50cce87d-8
0.359
MIC-UNK-50cce87d-12
0.358