Molecular Properties | |
SMILES: | N#CN1CC[C@@H](c2cccc(Cl)c2)C(=O)N1c1cncc2ccccc12 |
MW: | 362.09 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 60.23 |
cLogP: | 4.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
cyanate/aminonitrile/thiocyanate
Filter86_cyanamide
Aminonitrile
PET-UNK-7b413b46-7
1.000
PET-UNK-7b413b46-4
0.741
PET-UNK-7b413b46-8
0.741
EDG-MED-5d232de5-7
0.619
PET-UNK-c9c1e0d8-4
0.619
GIA-UNK-80c9bc96-1
0.619
EDG-MED-5d232de5-8
0.619
PET-UNK-3e354a91-1
0.602
PET-UNK-c9c1e0d8-3
0.586
MIC-UNK-0a05c952-2
0.565
PET-UNK-7b413b46-5
0.562
PET-UNK-7b413b46-1
0.562
VLA-UCB-1dbca3b4-10
0.562
PET-UNK-689df078-1
0.562
PET-UNK-5ddd54c7-2
0.549
PET-UNK-7b413b46-6
0.534
PET-UNK-7b413b46-2
0.534
VLA-UCB-1dbca3b4-6
0.534
PET-UNK-7a31b064-1
0.516
PET-UNK-7a31b064-2
0.516
PET-UNK-abc197b8-1
0.511
VLA-UCB-1dbca3b4-18
0.511
VLA-UCB-1dbca3b4-17
0.500
PET-UNK-4dc48bbe-6
0.500
MIC-UNK-d854bf4c-5
0.490
MIC-UNK-d854bf4c-7
0.490
MIC-UNK-0a05c952-1
0.490
PET-UNK-194f9da3-1
0.485
DAR-DIA-f6ee7aeb-1
0.476
MAT-POS-24589f88-14
0.468
BEN-DND-d1eb1f41-7
0.468
VLA-UNK-db5e3064-2
0.467
MIC-UNK-d854bf4c-1
0.466
PET-UNK-5ddd54c7-1
0.465
PET-UNK-194f9da3-2
0.465
PET-UNK-431b3bfb-1
0.458
ALP-UNI-58319883-2
0.458
PET-UNK-689df078-3
0.457
PET-UNK-689df078-4
0.453
MIC-UNK-d854bf4c-3
0.452
VLA-UNK-db5e3064-1
0.443
PET-UNK-689df078-2
0.443
VLA-UCB-1dbca3b4-12
0.438
MIC-UNK-50cce87d-5
0.438
MIC-UNK-50cce87d-6
0.436
BEN-DND-d1eb1f41-15
0.433
MIC-UNK-50cce87d-8
0.424
MIC-UNK-50cce87d-9
0.424
MIC-UNK-50cce87d-10
0.423
DAR-DIA-f6ee7aeb-6
0.422
DAR-DIA-b80f1cd7-2
0.420
DAR-DIA-0f7b7cd9-6
0.419
MIC-UNK-50cce87d-7
0.418
VLA-UCB-1dbca3b4-13
0.417
MAT-POS-8695a11f-1
0.417
MAT-POS-d8472c4f-1
0.417
ALP-POS-e0fe77e5-1
0.417
MIC-UNK-9582b2c5-1
0.417
ALP-UNI-3735e77e-1
0.417
MAT-POS-8695a11f-3
0.417
EDJ-MED-e66f2cc5-1
0.413
PET-UNK-7be94445-2
0.413
DAR-DIA-b80f1cd7-1
0.408
MIC-UNK-50cce87d-12
0.408
ALP-POS-ce760d3f-8
0.406
MIC-UNK-50cce87d-11
0.406
MIC-UNK-0a05c952-4
0.406
VLA-UCB-1dbca3b4-3
0.404
PET-UNK-7be94445-1
0.404
DAR-DIA-0f7b7cd9-5
0.402
DAR-DIA-0f7b7cd9-4
0.402
EDJ-MED-96f6b92c-1
0.396
PET-UNK-4dc48bbe-8
0.394
ALP-UNI-dbb9503d-1
0.390
DAR-DIA-0f7b7cd9-7
0.389
DAR-DIA-b80f1cd7-14
0.389
EDJ-MED-accc2c4d-4
0.386
MAT-POS-1f3f1a6f-5
0.385
ALP-POS-df536be7-4
0.382
PET-UNK-e8933450-1
0.380
DAR-DIA-5d6f1b43-6
0.378
DAR-DIA-5d6f1b43-1
0.378
PET-UNK-4dc48bbe-4
0.378
ALP-UNI-dbb9503d-2
0.375
ALP-POS-bb8a3193-4
0.375
PET-UNK-94460c07-1
0.374
DAR-DIA-b80f1cd7-9
0.373
ALP-POS-bb8a3193-8
0.372
MIC-UNK-257d841f-1
0.372
MAT-POS-b3212acf-2
0.372
VLA-UCB-eb340134-1
0.369
DAR-DIA-5d6f1b43-5
0.367
DAR-DIA-b80f1cd7-13
0.367
MIK-ENA-fe164c2a-1
0.367
PET-UNK-94460c07-2
0.365
BEN-DND-d1eb1f41-8
0.365
EDJ-MED-a12e3a20-1
0.364
LUO-POS-e1dab717-15
0.364
MIC-UNK-d854bf4c-8
0.364
MIC-UNK-d854bf4c-6
0.364