Molecular Properties | |
SMILES: | CN(C)c1ccc(N(Cc2ccsc2)C(=O)Cc2cncc3ccccc23)cn1 |
MW: | 402.15 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 49.33 |
cLogP: | 4.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-1901c25b-1
PET-UNK-1901c25b-1
0.756
PET-UNK-55f647aa-1
0.753
NAU-LAT-a5c7d7cb-4
0.670
MAK-UNK-b7886382-2
0.602
MAT-POS-6c284e65-1
0.541
ALP-POS-c3a96089-1
0.538
ALP-POS-75715966-2
0.531
ALP-POS-c3a96089-4
0.525
MAT-POS-6c284e65-2
0.525
ALP-POS-7c6e02c7-3
0.520
ALP-POS-c3a96089-2
0.510
MAK-UNK-b7886382-1
0.505
MAK-UNK-b7886382-3
0.495
ALP-POS-7c6e02c7-1
0.490
ALP-POS-25b4df59-2
0.490
MAK-UNK-b7886382-4
0.484
ALP-POS-25b4df59-1
0.474
RAL-THA-4a5dabff-2
0.470
ALP-POS-c3a96089-3
0.462
ALP-POS-b3306dea-1
0.461
NIR-WEI-75ed5c39-1
0.441
ALP-POS-7c6e02c7-2
0.436
ALP-POS-64a710fa-2
0.424
MIC-UNK-d36ab305-6
0.416
PET-UNK-55f647aa-3
0.411
DAR-DIA-6a49afbe-4
0.396
MAK-UNK-b7886382-5
0.394
MAT-POS-173a45da-1
0.387
NAU-LAT-a5c7d7cb-5
0.382
RUT-UNI-630c5802-4
0.376
DAR-DIA-6a49afbe-5
0.375
MIC-UNK-d36ab305-3
0.374
ALP-POS-64a710fa-1
0.370
MIC-UNK-a28eba03-2
0.370
DAR-DIA-6a49afbe-3
0.366
DAR-DIA-6a49afbe-1
0.365
UNK-UNK-2ede4078-44
0.362
MIC-UNK-a28eba03-4
0.362
DAR-DIA-6a49afbe-2
0.356
DAR-DIA-6a49afbe-9
0.354
DAR-DIA-23aa0b97-20
0.352
RAL-THA-4a5dabff-8
0.351
MIC-UNK-a28eba03-3
0.347
RUT-UNI-630c5802-2
0.345
DAR-DIA-6a49afbe-6
0.342
NAU-LAT-2fed8305-8
0.340
DAR-DIA-6a49afbe-12
0.340
PET-UNK-b75fdf9f-3
0.337
PET-UNK-7374c256-1
0.336
ALP-POS-d2866bdf-1
0.336
ALP-POS-8ed8d9ec-7
0.336
PET-UNK-8922bd3c-1
0.333
RAL-THA-d07c7800-6
0.330
MIC-UNK-a28eba03-1
0.330
RUT-UNI-630c5802-3
0.327
ALP-POS-c0c213c9-5
0.327
DAR-DIA-6a49afbe-7
0.327
DAR-DIA-6a49afbe-8
0.327
JUL-TUD-06b2044f-53
0.325
RAL-THA-4a5dabff-3
0.324
DAR-DIA-23aa0b97-19
0.324
ALP-POS-c0c213c9-6
0.321
DAR-DIA-6a508060-1
0.318
ALP-POS-c59291d4-4
0.318
RAL-THA-d07c7800-5
0.316
RUT-UNI-630c5802-27
0.316
ALP-POS-bad7201a-5
0.315
RAL-THA-4a5dabff-1
0.314
MAT-POS-bb423b95-7
0.314
NAU-LAT-a5c7d7cb-8
0.311
ALP-POS-8ed8d9ec-12
0.311
ALF-EVA-a24cc7ce-7
0.310
ALP-POS-75715966-5
0.310
RUT-UNI-630c5802-24
0.310
RUT-UNI-630c5802-26
0.310
JOH-UNI-6e27fddc-9
0.308
RAL-THA-d07c7800-4
0.308
VLA-UCB-05e51b3f-17
0.308
PET-UNK-b75fdf9f-1
0.306
ALP-POS-c59291d4-1
0.304
MIC-UNK-460e637d-1
0.304
ALP-UNI-44c99a80-1
0.304
RAL-THA-d07c7800-3
0.303
UNK-UNK-2ede4078-90
0.301
PET-UNK-1901c25b-2
0.301
ALP-UNI-44c99a80-4
0.301
ERI-UCB-ce40166b-4
0.300
RAL-THA-d07c7800-1
0.299
ALP-POS-c59291d4-2
0.299
LON-WEI-9739a092-8
0.299
JOH-UNI-6e27fddc-8
0.298
JOH-UNI-ea1df7a8-1
0.297
RAL-THA-d07c7800-2
0.297
PET-UNK-12d8d43f-2
0.296
JOH-UNI-a38a7bdd-2
0.296
MAT-POS-ffe83904-1
0.296
VLA-UCB-05e51b3f-15
0.295
PET-UNK-6c2be958-1
0.295
ALP-POS-bad7201a-9
0.295
JUL-TUD-06b2044f-52
0.295