Molecular Properties | |
SMILES: | CC1(Cc2cccc(Cl)c2)CCC12C(=O)Nc1cnccc12 |
MW: | 312.1 |
Fraction sp3: | 0.33 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 41.99 |
cLogP: | 3.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-47
0.470
SAD-SAT-7d5528d9-49
0.453
SAD-SAT-7d5528d9-45
0.451
SAD-SAT-7d5528d9-52
0.449
SAD-SAT-7d5528d9-36
0.438
SAD-SAT-7d5528d9-44
0.425
SAD-SAT-7d5528d9-48
0.400
SAD-SAT-7d5528d9-53
0.396
SAD-SAT-7d5528d9-5
0.385
SAD-SAT-7d5528d9-50
0.380
SAD-SAT-7d5528d9-46
0.379
SAD-SAT-7d5528d9-38
0.374
SAD-SAT-7d5528d9-42
0.372
SAD-SAT-7d5528d9-54
0.359
SAD-SAT-7d5528d9-17
0.356
SAD-SAT-7d5528d9-15
0.341
SAD-SAT-7d5528d9-4
0.340
SAD-SAT-7d5528d9-12
0.337
JAN-GHE-83b26c96-17
0.322
MAT-POS-0bc33984-2
0.314
SAD-SAT-7d5528d9-23
0.312
JOH-UNI-61f30276-1
0.311
SAD-SAT-7d5528d9-10
0.309
SAD-SAT-7d5528d9-56
0.305
ALP-POS-95b75b4d-6
0.302
SAD-SAT-7d5528d9-39
0.299
BAR-COM-ebf5acce-9
0.296
RUB-POS-1325a9ea-1
0.295
MAT-POS-f7918075-7
0.295
MIC-UNK-8373f97b-2
0.295
MAT-POS-bb423b95-4
0.293
ALP-POS-95b75b4d-5
0.293
SAM-UNK-2684b532-14
0.290
BAR-COM-ebf5acce-1
0.289
ALP-POS-f13221e1-4
0.286
MAT-POS-bb423b95-5
0.286
NIM-UNI-b87c0f72-1
0.284
NIM-UNI-b87c0f72-2
0.284
TRY-UNI-714a760b-6
0.284
EDG-MED-0da5ad92-6
0.284
RUB-POS-1325a9ea-24
0.283
SAD-SAT-7d5528d9-6
0.280
RUB-POS-1325a9ea-23
0.280
VLA-UCB-1dbca3b4-1
0.280
NAU-LAT-a5c7d7cb-13
0.280
ALP-POS-90e38439-1
0.280
ALP-POS-90e38439-3
0.279
ALP-POS-8b8a49e1-5
0.279
MIC-UNK-42806bd5-2
0.279
JOH-UNI-abfda500-5
0.278
JOH-UNI-abfda500-4
0.278
JAN-GHE-83b26c96-15
0.278
EDG-MED-0da5ad92-1
0.278
ANN-UNI-98d2bf15-3
0.278
SAD-SAT-7d5528d9-20
0.278
MAT-POS-0bc33984-1
0.278
VLA-UCB-05e51b3f-3
0.276
ALP-POS-95b75b4d-8
0.276
SAM-UNK-2684b532-13
0.276
ALP-POS-91609ae9-1
0.275
SAD-SAT-7d5528d9-35
0.275
PET-UNK-bbe8d7ff-1
0.274
EDJ-MED-6e43a462-6
0.274
PET-UNK-bbe8d7ff-2
0.274
MAT-POS-14ad9fe9-1
0.273
JIN-POS-6dc588a4-3
0.272
RUB-POS-1325a9ea-19
0.272
DAR-DIA-56cf811e-2
0.271
SAD-SAT-7d5528d9-13
0.270
BAR-COM-ebf5acce-5
0.269
SAD-SAT-7d5528d9-18
0.268
MAT-POS-500ca5bf-2
0.267
ALP-POS-90e38439-2
0.267
MIC-UNK-42806bd5-1
0.267
JAN-GHE-5a013bed-8
0.267
EDG-MED-0da5ad92-2
0.267
ALP-POS-8b8a49e1-8
0.267
MIC-UNK-4c7b8ba7-1
0.267
SAD-SAT-7d5528d9-51
0.265
SAD-SAT-7d5528d9-7
0.265
JAG-UCB-cedd89ab-2
0.264
MAT-POS-6da3605a-2
0.264
MIC-UNK-fc94cdb5-1
0.264
BAR-COM-ebf5acce-11
0.264
JIN-POS-6dc588a4-6
0.263
DAR-DIA-076fb6ea-13
0.262
JOH-UNI-0e1753c1-2
0.262
MIC-UNK-5ce21166-1
0.262
JAN-GHE-83b26c96-16
0.261
MAK-UNK-6ca90168-23
0.261
EDJ-MED-c8e7a002-16
0.260
NAU-LAT-a5c7d7cb-14
0.260
ROB-UNI-daaf9793-2
0.260
MAT-POS-f7918075-5
0.260
ALP-POS-95b75b4d-11
0.260
JAN-GHE-5a013bed-9
0.259
SAM-UNK-2684b532-11
0.258
SAM-UNK-2684b532-12
0.258
JIN-POS-6dc588a4-4
0.258
RUB-POS-1325a9ea-7
0.258