Molecular Properties | |
SMILES: | Cc1ccc(N(Cc2ccsc2)C(=O)Nn2nnc3ccccc32)cc1 |
MW: | 363.12 |
Fraction sp3: | 0.11 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 63.05 |
cLogP: | 4.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Singel acyclic N-N bonds
ALP-POS-a3de0cb1-1
0.548
ALP-POS-bad7201a-12
0.500
ALP-POS-bad7201a-2
0.495
ALP-POS-c59291d4-4
0.464
ALP-POS-d2866bdf-1
0.443
PET-UNK-1901c25b-2
0.440
PET-UNK-b75fdf9f-1
0.438
RAL-THA-4a5dabff-1
0.436
ALP-POS-c0c213c9-6
0.436
ALP-POS-c59291d4-1
0.430
ALP-POS-bad7201a-5
0.430
ROB-IMP-e811baff-1
0.423
RUT-UNI-630c5802-24
0.422
RUT-UNI-630c5802-26
0.422
ALP-POS-c59291d4-2
0.419
RAL-THA-4a5dabff-3
0.414
RUT-UNI-630c5802-27
0.413
RAL-THA-4a5dabff-2
0.412
ALP-POS-c59291d4-3
0.407
ALP-POS-8ed8d9ec-10
0.400
RAL-THA-4a5dabff-8
0.398
MAT-POS-ffe83904-1
0.395
ALP-POS-6d04362c-3
0.393
ALP-POS-6d04362c-4
0.393
ALP-POS-8ed8d9ec-15
0.392
RUT-UNI-630c5802-1
0.391
RUT-UNI-630c5802-22
0.385
PET-UNK-b75fdf9f-2
0.382
CHO-MSK-00c5269a-1
0.379
ALP-POS-8ed8d9ec-7
0.373
PET-UNK-7374c256-1
0.373
RUT-UNI-630c5802-17
0.373
RUT-UNI-630c5802-19
0.369
MAT-POS-bfb445d4-2
0.366
RUT-UNI-630c5802-21
0.365
RUT-UNI-630c5802-20
0.365
RUT-UNI-630c5802-18
0.359
RUT-UNI-630c5802-25
0.359
ALP-POS-c0c213c9-5
0.350
RAL-THA-4a5dabff-5
0.349
HOL-KAN-828c7b64-1
0.342
RUT-UNI-630c5802-23
0.339
PET-UNK-b75fdf9f-3
0.333
ALP-POS-c0c213c9-11
0.327
RAL-THA-4a5dabff-4
0.320
RAL-THA-4a5dabff-6
0.319
RAL-THA-d07c7800-5
0.313
RAL-THA-4a5dabff-7
0.313
RUT-UNI-630c5802-4
0.312
DAR-DIA-093892e4-7
0.311
ALP-POS-bad7201a-4
0.311
PET-UNK-55f647aa-3
0.310
ALP-POS-a1bdc92a-1
0.308
ALP-POS-8ed8d9ec-8
0.308
RAL-THA-d07c7800-1
0.307
PET-UNK-1901c25b-1
0.306
OLG-UNK-911c2067-1
0.306
RAL-THA-d07c7800-2
0.304
RAL-THA-d07c7800-4
0.304
ALP-POS-c0c213c9-12
0.304
RAL-THA-d07c7800-6
0.302
ALP-POS-a3de0cb1-7
0.300
ALP-POS-a3de0cb1-13
0.300
RAL-THA-d07c7800-3
0.299
ALP-POS-6d04362c-1
0.298
NIR-WEI-75ed5c39-1
0.297
ALP-POS-87c86d55-1
0.296
MAD-UNK-b1ea4171-1
0.295
PET-UNK-55f647aa-2
0.295
MAD-UNK-84a4f939-1
0.295
CHO-MSK-00c5269a-3
0.291
ALP-POS-6d04362c-2
0.291
ALP-POS-bad7201a-15
0.291
ALP-POS-bad7201a-14
0.288
ALP-POS-bad7201a-7
0.284
ALP-POS-87c86d55-2
0.284
DAR-DIA-093892e4-1
0.284
CHO-MSK-00c5269a-2
0.283
RUT-UNI-630c5802-2
0.283
DAR-DIA-093892e4-5
0.283
DAR-DIA-093892e4-2
0.282
PET-UNK-55f647aa-1
0.281
DAR-DIA-093892e4-8
0.280
UNK-UNK-2ede4078-72
0.279
RUT-UNI-630c5802-9
0.279
RUT-UNI-630c5802-3
0.278
DAR-DIA-093892e4-12
0.278
DAR-DIA-093892e4-4
0.277
DAR-DIA-093892e4-6
0.276
ALP-POS-8ed8d9ec-9
0.275
DAR-DIA-093892e4-9
0.274
PET-UNK-1901c25b-3
0.273
PET-UNK-7374c256-2
0.273
MAK-UNK-b7886382-2
0.273
UNK-UNK-2ede4078-44
0.273
ALP-POS-75715966-5
0.272
DAR-DIA-093892e4-11
0.272
DAR-DIA-2964957d-7
0.272
ALP-POS-75715966-1
0.265
DAR-DIA-093892e4-3
0.265