Molecule Details
| Molecular Properties | |
| SMILES: | Clc1cccc(CC23CCC(C2)c2ccncc2NC3)c1 |
| MW: | 298.12 |
| Fraction sp3: | 0.39 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 2 |
| TPSA: | 24.92 |
| cLogP: | 4.66 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-52
0.429
SAD-SAT-7d5528d9-53
0.407
SAD-SAT-7d5528d9-40
0.374
SAD-SAT-7d5528d9-47
0.367
SAD-SAT-7d5528d9-54
0.355
SAD-SAT-7d5528d9-46
0.344
MAT-POS-bb423b95-4
0.333
ALP-POS-95b75b4d-5
0.333
SAD-SAT-7d5528d9-49
0.326
SAD-SAT-7d5528d9-15
0.323
SAD-SAT-7d5528d9-17
0.323
SAD-SAT-7d5528d9-23
0.323
SAD-SAT-7d5528d9-12
0.320
SAD-SAT-7d5528d9-24
0.319
SAD-SAT-7d5528d9-6
0.316
SAD-SAT-7d5528d9-36
0.316
SAD-SAT-7d5528d9-35
0.310
SAD-SAT-7d5528d9-5
0.309
SAD-SAT-7d5528d9-50
0.306
SAD-SAT-7d5528d9-42
0.300
SAD-SAT-7d5528d9-4
0.297
SAD-SAT-7d5528d9-45
0.290
NIM-UNI-b87c0f72-1
0.282
NIM-UNI-b87c0f72-2
0.282
SAD-SAT-7d5528d9-21
0.281
SAD-SAT-7d5528d9-13
0.280
SAD-SAT-7d5528d9-37
0.280
JAN-GHE-f4ca5a00-14
0.280
JOH-UNI-61f30276-1
0.280
MAT-POS-500ca5bf-2
0.279
ALP-POS-90e38439-2
0.279
MIC-UNK-42806bd5-1
0.279
MAT-POS-f7918075-7
0.278
SAD-SAT-7d5528d9-18
0.278
RUB-POS-1325a9ea-1
0.278
SAD-SAT-7d5528d9-10
0.278
SAD-SAT-7d5528d9-11
0.278
ALP-POS-8b8a49e1-8
0.278
SAD-SAT-7d5528d9-56
0.276
SAD-SAT-7d5528d9-20
0.275
JAN-GHE-83b26c96-17
0.275
MIC-UNK-5ce21166-1
0.274
ALP-POS-95b75b4d-8
0.273
SAM-UNK-2684b532-13
0.273
ALP-POS-95b75b4d-11
0.271
ALP-POS-95b75b4d-6
0.270
SAD-SAT-7d5528d9-29
0.269
ALP-POS-f13221e1-4
0.269
ALP-POS-8b8a49e1-7
0.267
EDG-MED-0da5ad92-2
0.264
MIC-UNK-4c7b8ba7-1
0.264
SAD-SAT-7d5528d9-7
0.262
MIC-UNK-fc94cdb5-1
0.261
JOH-UNI-abfda500-5
0.261
ANN-UNI-98d2bf15-3
0.261
JOH-UNI-abfda500-4
0.261
MAT-POS-0bc33984-1
0.261
BEN-DND-02317c5c-9
0.260
EDJ-MED-a364e151-3
0.260
EDJ-MED-50fe53e8-4
0.260
BAR-COM-ebf5acce-1
0.260
MAK-UNK-6ca90168-23
0.258
EDJ-MED-c8e7a002-16
0.258
NAU-LAT-a5c7d7cb-14
0.258
ROB-UNI-daaf9793-2
0.258
MIC-UNK-d935700b-2
0.258
MAT-POS-f7918075-5
0.258
MAT-POS-14ad9fe9-1
0.257
MIC-UNK-13557a72-1
0.256
PET-UNK-8df914d1-5
0.255
JOH-UNI-a38a7bdd-9
0.255
BAR-COM-ebf5acce-13
0.255
TRY-UNI-714a760b-6
0.253
EDG-MED-0da5ad92-6
0.253
RUB-POS-1325a9ea-24
0.253
JAN-GHE-f4ca5a00-17
0.253
DAR-DIA-076fb6ea-10
0.252
VLA-UCB-1dbca3b4-1
0.250
ALP-POS-90e38439-1
0.250
NAU-LAT-a5c7d7cb-13
0.250
MAK-UNK-942dcb71-5
0.250
JAN-GHE-5a013bed-8
0.250
RUB-POS-1325a9ea-23
0.250
MAT-POS-bb423b95-1
0.250
PET-UNK-b1ef24dc-2
0.247
JIN-POS-6dc588a4-6
0.247
SAM-UNK-2684b532-14
0.247
EDG-MED-0da5ad92-1
0.247
JAN-GHE-83b26c96-15
0.247
MIC-UNK-42806bd5-2
0.247
ALP-POS-90e38439-3
0.247
ALP-POS-8b8a49e1-5
0.247
JOH-UNI-a38a7bdd-7
0.245
AVI-UNI-70b60925-1
0.245
JOH-UNI-a38a7bdd-8
0.245
JIN-POS-6dc588a4-20
0.245
DAR-DIA-076fb6ea-6
0.245
JIN-POS-6dc588a4-16
0.245
PET-UNK-b1ef24dc-4
0.245
PET-UNK-bbe8d7ff-1
0.245