Molecular Properties | |
SMILES: | CNC(=O)Nc1ccc(N(Cc2ccc(Cl)c(Cl)c2)C(=O)Cc2cncc3ccccc23)nc1 |
MW: | 493.11 |
Fraction sp3: | 0.12 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 87.22 |
cLogP: | 5.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-c3a96089-3
0.667
ALP-POS-7c6e02c7-3
0.587
ALP-POS-7c6e02c7-1
0.574
MAT-POS-6c284e65-1
0.548
PET-UNK-55f647aa-1
0.500
DAR-DIA-6a49afbe-9
0.474
ALP-POS-c3a96089-2
0.462
ALP-POS-c3a96089-4
0.451
MAT-POS-6c284e65-2
0.451
PET-UNK-55f647aa-2
0.436
ALP-POS-75715966-2
0.427
ALP-POS-b3306dea-1
0.420
MIC-UNK-d36ab305-3
0.414
NAU-LAT-a5c7d7cb-4
0.414
PET-UNK-1901c25b-1
0.400
ALP-POS-c3a96089-1
0.391
ALP-POS-25b4df59-2
0.391
DAR-DIA-6a49afbe-2
0.387
MAT-POS-23a8a11a-1
0.386
DAR-DIA-6a49afbe-7
0.385
DAR-DIA-6a49afbe-3
0.381
MAK-UNK-b7886382-4
0.381
MAT-POS-e69ad64a-3
0.380
ALP-POS-25b4df59-1
0.378
MAK-UNK-b7886382-3
0.377
DAR-DIA-6a49afbe-4
0.374
NAU-LAT-2fed8305-8
0.373
DAR-DIA-6a49afbe-12
0.369
DAR-DIA-6a49afbe-1
0.369
DAR-DIA-6a49afbe-6
0.368
MIC-UNK-d36ab305-6
0.366
PET-UNK-8922bd3c-1
0.365
MAT-POS-173a45da-1
0.365
MAK-UNK-b7886382-2
0.358
DAR-DIA-23aa0b97-20
0.357
ERI-UCB-ce40166b-8
0.357
DAR-DIA-6a49afbe-5
0.355
MAT-POS-6344a35d-1
0.350
MAK-UNK-b7886382-1
0.350
ALP-POS-64a710fa-2
0.348
RAL-THA-2d450e86-8
0.346
DAR-DIA-6a49afbe-8
0.346
ERI-UCB-ce40166b-6
0.344
DAR-DIA-23aa0b97-19
0.343
ERI-UCB-ce40166b-5
0.342
JOH-UNI-ea1df7a8-1
0.339
ERI-UCB-ce40166b-7
0.339
DAR-DIA-6a508060-1
0.336
JUL-TUD-06b2044f-52
0.336
MIC-UNK-a28eba03-2
0.333
ERI-UCB-ce40166b-4
0.330
MIC-UNK-a28eba03-4
0.327
JOH-UNI-6e27fddc-9
0.325
ERI-UCB-ce40166b-12
0.322
RAL-THA-2d450e86-6
0.321
JUL-TUD-06b2044f-53
0.320
NAU-LAT-a5c7d7cb-8
0.319
MAT-POS-fce787c2-9
0.318
MAT-POS-de59a476-2
0.318
MAT-POS-fce787c2-5
0.318
JUL-TUD-06b2044f-69
0.317
ERI-UCB-ce40166b-3
0.317
ALP-POS-64a710fa-1
0.317
DAR-DIA-6a49afbe-10
0.317
JOH-UNI-6e27fddc-8
0.315
MAT-POS-fce787c2-6
0.315
MIC-UNK-a28eba03-3
0.315
MAK-UNK-b7886382-5
0.314
ERI-UCB-ce40166b-2
0.311
ERI-UCB-ce40166b-1
0.311
DAR-DIA-6a49afbe-11
0.311
MAT-POS-fce787c2-10
0.311
MAT-POS-1f3f1a6f-3
0.310
ERI-UCB-ce40166b-10
0.310
BEN-DND-d1eb1f41-16
0.309
MAT-POS-fce787c2-11
0.309
RAL-THA-2d450e86-9
0.309
ERI-UCB-ce40166b-11
0.307
ERI-UCB-ce40166b-9
0.306
MAT-POS-de59a476-5
0.304
PET-UNK-e8c7a26f-1
0.304
MAT-POS-1f3f1a6f-2
0.304
MAT-POS-fce787c2-8
0.304
VLA-UNK-82501c2c-2
0.303
MAT-POS-fce787c2-3
0.303
NIR-WEI-f9286bb6-1
0.303
MIC-UNK-a28eba03-1
0.300
ALP-UNI-44c99a80-1
0.300
MAT-POS-de59a476-4
0.299
MAT-POS-e9e99895-7
0.299
MAT-POS-e9e99895-12
0.298
ALP-UNI-44c99a80-4
0.298
MAT-POS-bb423b95-7
0.297
MAT-POS-e9e99895-1
0.297
MAT-POS-fce787c2-7
0.297
MAT-POS-e9e99895-10
0.297
MAT-POS-78e1d523-3
0.295
EDJ-MED-d08626de-3
0.295
MAT-POS-78e1d523-4
0.295
EDJ-MED-d08626de-4
0.295