Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(Cc2cccc(Cl)c2)C(=O)Cc2cn[nH]c2)cc1 |
MW: | 381.16 |
Fraction sp3: | 0.27 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 48.99 |
cLogP: | 5.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-75715966-4
0.472
ALP-POS-75715966-2
0.438
ALP-POS-75715966-3
0.404
MIC-UNK-66895286-2
0.378
CHO-MSK-00c5269a-2
0.376
CHO-MSK-00c5269a-1
0.374
CHO-MSK-00c5269a-3
0.374
ALP-POS-6d04362c-2
0.374
ALP-POS-bad7201a-15
0.374
ALP-POS-c3a96089-4
0.368
MAT-POS-6c284e65-2
0.368
MAT-POS-6c284e65-1
0.352
DAR-DIA-093892e4-11
0.350
ALP-POS-75715966-5
0.350
MIC-UNK-66895286-1
0.349
DAR-DIA-093892e4-12
0.343
CHO-MSK-00c5269a-5
0.343
MIC-UNK-5ce21166-2
0.341
JAN-GHE-83b26c96-16
0.337
ALP-POS-b3306dea-1
0.333
CHO-MSK-00c5269a-4
0.330
JOH-UNI-a38a7bdd-4
0.330
ALP-POS-75715966-1
0.327
BAR-COM-ebf5acce-6
0.327
BAR-COM-ebf5acce-10
0.320
BAR-COM-ebf5acce-1
0.320
PET-UNK-bbe8d7ff-2
0.319
PET-UNK-bbe8d7ff-1
0.319
MAT-POS-f2460aef-5
0.319
DAR-DIA-076fb6ea-16
0.316
PET-UNK-55f647aa-3
0.316
ALP-POS-c3a96089-3
0.315
EDG-MED-0da5ad92-1
0.311
JAN-GHE-83b26c96-15
0.311
EDG-MED-0da5ad92-21
0.310
JOH-UNI-a38a7bdd-2
0.310
PET-UNK-12d8d43f-2
0.310
BAR-COM-ebf5acce-3
0.306
MIC-UNK-d935700b-1
0.304
RUB-POS-1325a9ea-19
0.304
BAR-COM-ebf5acce-15
0.303
JOH-UNI-a38a7bdd-3
0.302
JOH-UNI-a38a7bdd-8
0.301
BAR-COM-ebf5acce-9
0.300
JOH-UNI-a38a7bdd-9
0.300
DAR-DIA-6a49afbe-4
0.299
EDJ-MED-06d94977-2
0.299
ALP-POS-a3de0cb1-2
0.298
BAR-COM-ebf5acce-5
0.298
BAR-COM-ebf5acce-13
0.298
VLA-UCB-05e51b3f-17
0.296
BAR-COM-ebf5acce-7
0.295
BAR-COM-ebf5acce-12
0.295
DAR-DIA-56cf811e-6
0.294
JAN-GHE-d851b096-1
0.293
ALP-UNI-44c99a80-1
0.292
PET-UNK-e8c7a26f-2
0.290
DAR-DIA-076fb6ea-7
0.290
MAT-POS-c20a539d-4
0.290
MIC-UNK-67d4a29a-4
0.290
NAU-LAT-a5c7d7cb-4
0.290
PET-UNK-8df914d1-3
0.289
PET-UNK-f92d7c0c-3
0.289
MIC-UNK-67d4a29a-1
0.289
MAT-POS-bb423b95-7
0.289
DAR-DIA-56cf811e-2
0.289
DAR-DIA-076fb6ea-2
0.289
BAR-COM-ebf5acce-14
0.288
JOH-UNI-a38a7bdd-7
0.288
ALP-POS-02c6a514-11
0.288
JAN-GHE-5a013bed-8
0.287
VLA-UCB-00f2c2b3-7
0.287
JOH-UNI-3fc3434e-13
0.287
JOH-UNI-ee5ed7c8-13
0.287
DAR-DIA-093892e4-5
0.287
RUT-UNI-630c5802-2
0.287
PET-UNK-48ab5cd7-1
0.284
JOH-UNI-a38a7bdd-1
0.284
DAR-DIA-56cf811e-1
0.284
MIC-UNK-67d4a29a-3
0.283
VLA-UCB-05e51b3f-15
0.283
PET-UNK-6c2be958-1
0.283
BEN-DND-1e24cf73-2
0.283
EDG-MED-0da5ad92-17
0.283
TRY-UNI-714a760b-3
0.283
RUT-UNI-630c5802-3
0.282
JIN-POS-6dc588a4-6
0.281
PET-UNK-8df914d1-4
0.281
JAN-GHE-5a013bed-4
0.281
PET-UNK-158bee2a-3
0.281
LON-WEI-babf2c61-1
0.281
BAR-COM-ebf5acce-11
0.280
MIC-UNK-67d4a29a-2
0.280
JAN-GHE-5a013bed-9
0.279
JOH-UNI-50ce7ec3-1
0.279
NAU-LAT-4ce8bf23-2
0.279
DAR-DIA-076fb6ea-4
0.279
ALP-UNI-44c99a80-4
0.278
JOH-UNI-0e1753c1-1
0.278
PET-UNK-d899bab6-1
0.277