Molecular Properties | |
SMILES: | CN1CCN(C(=O)Cc2cncc3ccccc23)CC1COc1cccnc1 |
MW: | 376.19 |
Fraction sp3: | 0.32 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 58.56 |
cLogP: | 2.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-460e637d-2
0.641
MIC-UNK-460e637d-1
0.609
MIC-UNK-a28eba03-2
0.524
MIC-UNK-a28eba03-1
0.484
MIC-UNK-a28eba03-4
0.461
MIC-UNK-a28eba03-3
0.457
ERI-UCB-ce40166b-4
0.422
JUL-TUD-06b2044f-52
0.413
ERI-UCB-ce40166b-8
0.410
ERI-UCB-ce40166b-12
0.407
ERI-UCB-ce40166b-1
0.370
DAR-DIA-23aa0b97-19
0.370
ERI-UCB-ce40166b-9
0.363
DAR-DIA-23aa0b97-20
0.359
DAR-DIA-6a49afbe-1
0.357
UNK-UNK-2ede4078-90
0.355
ERI-UCB-ce40166b-5
0.354
JOH-UNI-ea1df7a8-1
0.352
NAU-LAT-a5c7d7cb-5
0.349
DAR-DIA-6a49afbe-9
0.347
MIH-UNI-e573136b-2
0.345
ERI-UCB-ce40166b-2
0.345
MAK-UNK-b7886382-4
0.343
ERI-UCB-ce40166b-10
0.342
PET-UNK-8922bd3c-1
0.340
DAR-DIA-6a49afbe-4
0.339
DAR-DIA-6a49afbe-10
0.339
DAR-DIA-6a49afbe-2
0.337
ERI-UCB-ce40166b-6
0.333
DAR-DIA-6a49afbe-7
0.333
DAR-DIA-6a49afbe-8
0.333
NAU-LAT-2fed8305-8
0.333
MIH-UNI-e573136b-3
0.327
MAK-UNK-b7886382-3
0.327
MAK-UNK-b7886382-5
0.324
DAR-DIA-6a49afbe-5
0.322
DAR-DIA-6a49afbe-11
0.321
DAR-DIA-6a49afbe-12
0.321
ALP-POS-c3a96089-1
0.318
ALP-POS-25b4df59-2
0.318
NAU-LAT-a5c7d7cb-8
0.318
MAT-POS-6344a35d-1
0.316
ERI-UCB-ce40166b-3
0.316
DAR-DIA-6a49afbe-3
0.314
AUS-ARG-7cfdce8f-1
0.313
ALP-POS-7c6e02c7-1
0.313
MAT-POS-9ff17035-3
0.312
ALP-POS-c3a96089-2
0.312
DAR-DIA-6a508060-1
0.312
ALP-POS-64a710fa-2
0.312
DAR-DIA-fb20be43-7
0.311
MED-COV-4280ac29-31
0.309
AAR-POS-d2a4d1df-40
0.309
ALP-POS-25b4df59-1
0.306
DAR-DIA-6a49afbe-6
0.304
MAK-UNK-b7886382-2
0.303
JOH-UNI-6e27fddc-8
0.303
ALP-POS-b3306dea-1
0.302
MAT-POS-6c284e65-2
0.300
ALP-POS-c3a96089-4
0.300
MAT-POS-6c284e65-1
0.297
ALP-POS-75715966-2
0.296
MAT-POS-173a45da-1
0.296
DAR-DIA-fb20be43-6
0.295
ERI-UCB-ce40166b-11
0.295
MIC-UNK-d36ab305-6
0.295
PAU-UNI-19862c28-1
0.294
ERI-UCB-ce40166b-7
0.294
NAU-LAT-a5c7d7cb-1
0.294
NIR-THE-d08c3b48-1
0.294
ALP-POS-6747fa38-1
0.294
DAR-DIA-fb20be43-8
0.294
BEN-DND-6de5dfa0-11
0.294
VLA-UCB-05e51b3f-1
0.294
PET-UNK-55f647aa-2
0.293
ALP-POS-64a710fa-1
0.293
JOH-UNI-6e27fddc-9
0.293
PET-UNK-1901c25b-1
0.292
PET-UNK-55f647aa-1
0.291
EDG-MED-ba1ac7b9-14
0.290
JUL-TUD-06b2044f-53
0.288
ALP-POS-c3a96089-3
0.287
KEI-UNI-85a52787-2
0.285
NAU-LAT-a5c7d7cb-4
0.284
MIC-UNK-d36ab305-3
0.284
DAR-DIA-fb20be43-2
0.284
MAK-UNK-b7886382-1
0.283
JUL-TUD-06b2044f-69
0.283
EDJ-MED-50011917-2
0.283
NIR-THE-590dedc7-1
0.283
MIC-UNK-6ab519a7-1
0.283
NAU-LAT-a5c7d7cb-2
0.283
MIC-UNK-5a93dd5f-10
0.283
DAR-DIA-53551c05-10
0.283
KAD-UNI-877d7bed-8
0.278
KEI-UNI-85a52787-1
0.278
DAR-DIA-53551c05-6
0.277
ALP-POS-7c6e02c7-3
0.276
EDJ-MED-cf4b0d25-1
0.276
MIC-UNK-5b1ead09-1
0.275