Molecular Properties | |
SMILES: | O=C1CC(CN(Cc2cccc(Cl)c2Cl)C(=O)Cc2cncc3ccccc23)CCN1 |
MW: | 455.12 |
Fraction sp3: | 0.29 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 62.3 |
cLogP: | 4.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-173a45da-1
0.423
ALP-POS-64a710fa-1
0.395
NAU-LAT-a5c7d7cb-4
0.386
DAR-DIA-6a49afbe-4
0.383
JUL-TUD-06b2044f-52
0.381
ERI-UCB-ce40166b-1
0.377
ALP-POS-b3306dea-1
0.368
DAR-DIA-6a49afbe-3
0.367
DAR-DIA-6a49afbe-5
0.364
ALP-POS-c3a96089-1
0.363
ALP-POS-25b4df59-1
0.363
MAK-UNK-b7886382-3
0.361
ALP-POS-64a710fa-2
0.357
MAK-UNK-b7886382-5
0.357
ALP-POS-c3a96089-2
0.357
ALP-POS-7c6e02c7-1
0.356
DAR-DIA-6a49afbe-6
0.354
ALP-POS-25b4df59-2
0.351
ALP-POS-75715966-2
0.350
ERI-UCB-ce40166b-5
0.350
DAR-DIA-6a49afbe-10
0.347
DAR-DIA-6a49afbe-9
0.343
ERI-UCB-ce40166b-2
0.342
ALP-POS-c3a96089-4
0.341
MAT-POS-6c284e65-2
0.341
MAT-POS-afd4d4fd-3
0.340
DAR-DIA-6a49afbe-1
0.340
MAK-UNK-b7886382-4
0.339
MIC-UNK-d36ab305-6
0.339
MIC-UNK-d36ab305-3
0.339
MAT-POS-6c284e65-1
0.339
ALP-POS-7c6e02c7-3
0.339
ALP-POS-c3a96089-3
0.339
MIC-UNK-a28eba03-4
0.337
ERI-UCB-ce40166b-9
0.336
ERI-UCB-ce40166b-6
0.331
DAR-DIA-6a49afbe-8
0.330
DAR-DIA-6a49afbe-7
0.330
MIC-UNK-bcd487e9-2
0.328
JUL-TUD-06b2044f-69
0.325
PET-UNK-55f647aa-2
0.325
PET-UNK-1901c25b-1
0.325
PET-UNK-8922bd3c-1
0.324
MAK-UNK-b7886382-2
0.323
MIC-UNK-460e637d-2
0.322
PET-UNK-55f647aa-1
0.322
DAR-DIA-6a508060-1
0.322
DAR-DIA-6a49afbe-2
0.321
ALP-POS-7c6e02c7-2
0.320
NAU-LAT-2fed8305-8
0.318
ERI-UCB-ce40166b-10
0.317
MIC-UNK-a28eba03-2
0.317
DAR-DIA-23aa0b97-19
0.315
ERI-UCB-ce40166b-7
0.315
DAR-DIA-23aa0b97-20
0.314
JOH-UNI-ea1df7a8-1
0.314
MIC-UNK-5b1ead09-5
0.311
MIC-UNK-bcd487e9-3
0.311
DAR-DIA-6a49afbe-11
0.308
ERI-UCB-ce40166b-4
0.305
ERI-UCB-ce40166b-11
0.305
NAU-LAT-a5c7d7cb-8
0.304
ERI-UCB-ce40166b-3
0.303
DAR-DIA-53551c05-11
0.301
MIC-UNK-a28eba03-3
0.300
NAU-LAT-a5c7d7cb-5
0.299
ERI-UCB-ce40166b-8
0.298
MIC-UNK-a28eba03-1
0.297
DAR-DIA-6a49afbe-12
0.297
MIC-UNK-c66144cb-6
0.296
DAR-DIA-076fb6ea-9
0.295
MAK-UNK-b7886382-1
0.294
EDJ-MED-c314995a-1
0.293
VLA-UCB-05e51b3f-14
0.293
DAR-DIA-53551c05-12
0.292
MIC-UNK-bcd487e9-6
0.290
ERI-UCB-ce40166b-12
0.288
MIC-UNK-460e637d-3
0.288
MIC-UNK-460e637d-1
0.287
FRA-DIA-b66f7109-4
0.287
UNK-UNK-2ede4078-90
0.285
MAT-POS-fce787c2-1
0.284
PET-UNK-5ecb6237-1
0.284
EDJ-MED-50011917-2
0.283
MAT-POS-6344a35d-1
0.283
MIC-UNK-d854bf4c-4
0.283
DAR-DIA-53551c05-10
0.283
MAK-UNK-c749d764-32
0.281
MIC-UNK-bcd487e9-4
0.280
MIC-UNK-c66144cb-5
0.280
MIC-UNK-d854bf4c-3
0.279
RAL-THA-2d450e86-22
0.278
MAT-POS-1f3f1a6f-5
0.278
ALP-POS-3b848b35-2
0.278
MAT-POS-3b92565d-3
0.278
EDJ-MED-7320d5d2-1
0.278
VLA-UCB-34f3ed0c-6
0.278
FRA-DIA-b66f7109-2
0.277
FRA-DIA-b66f7109-1
0.277
EDJ-MED-50011917-1
0.276