Molecular Properties | |
SMILES: | O=C(Cc1cncc2ccccc12)NCc1cc(Cl)ccc1Cl |
MW: | 344.05 |
Fraction sp3: | 0.11 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 41.99 |
cLogP: | 4.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-6c284e65-1
DAR-DIA-6a49afbe-8
0.714
DAR-DIA-6a49afbe-9
0.657
DAR-DIA-6a49afbe-1
0.625
DAR-DIA-6a49afbe-2
0.557
PET-UNK-8922bd3c-1
0.532
DAR-DIA-6a49afbe-12
0.524
NAU-LAT-2fed8305-8
0.506
RAL-THA-2d450e86-24
0.506
PET-UNK-dd44aeb6-2
0.506
DAR-DIA-23aa0b97-20
0.493
DAR-DIA-6a49afbe-11
0.483
NAU-LAT-a5c7d7cb-8
0.471
DAR-DIA-6a49afbe-10
0.457
ERI-UCB-ce40166b-8
0.451
DAR-DIA-23aa0b97-19
0.440
MAT-POS-6344a35d-1
0.438
ERI-UCB-ce40166b-7
0.438
JOH-UNI-ea1df7a8-1
0.429
MIC-UNK-a28eba03-2
0.418
RAL-THA-2d450e86-25
0.417
RAL-THA-2d450e86-27
0.417
PET-UNK-dd44aeb6-1
0.417
ERI-UCB-ce40166b-5
0.412
DAR-DIA-6a508060-1
0.409
ALP-POS-7c6e02c7-1
0.406
ALP-POS-b3306dea-1
0.406
MIC-UNK-d36ab305-6
0.402
ERI-UCB-ce40166b-4
0.402
MIC-UNK-d36ab305-3
0.400
MAT-POS-173a45da-1
0.400
ALP-POS-75715966-2
0.400
ERI-UCB-ce40166b-6
0.400
NAU-LAT-a5c7d7cb-4
0.400
MIC-UNK-df9dcda8-3
0.398
MAT-POS-23a8a11a-1
0.398
ERI-UCB-ce40166b-3
0.396
ALP-POS-d7944b10-1
0.394
ALP-POS-6479a3a9-3
0.394
JUL-TUD-06b2044f-52
0.394
MAT-POS-3b92565d-1
0.393
MAT-POS-bbbbc21a-1
0.393
RAL-THA-2d450e86-29
0.393
PET-UNK-dd44aeb6-3
0.393
BEN-DND-d1eb1f41-4
0.393
RAL-THA-2d450e86-28
0.393
ALP-POS-76eab5ce-2
0.393
MIC-UNK-a28eba03-4
0.390
ERI-UCB-ce40166b-1
0.389
BEN-DND-d1eb1f41-6
0.389
ERI-UCB-ce40166b-12
0.388
ALP-POS-c3a96089-4
0.386
MAT-POS-6c284e65-2
0.386
MIC-UNK-df9dcda8-4
0.385
ALP-POS-7c6e02c7-2
0.385
MAT-POS-6c284e65-1
0.384
ALP-POS-7c6e02c7-3
0.382
ALP-POS-c3a96089-3
0.382
DAR-DIA-6a49afbe-4
0.381
ALP-POS-d7944b10-16
0.381
MIC-UNK-df9dcda8-1
0.380
RAL-THA-2d450e86-6
0.379
RAL-THA-2d450e86-9
0.379
ERI-UCB-ce40166b-11
0.379
RAL-THA-2d450e86-36
0.378
MAK-UNK-b7886382-4
0.375
ERI-UCB-ce40166b-2
0.374
ALP-POS-6479a3a9-2
0.372
MIC-UNK-a28eba03-3
0.372
MAK-UNK-b7886382-3
0.371
MIC-UNK-df9dcda8-2
0.368
MIC-UNK-a28eba03-1
0.368
JUL-TUD-06b2044f-69
0.366
ERI-UCB-ce40166b-9
0.366
ADA-UCB-6c2cb422-1
0.365
ALP-POS-df536be7-6
0.365
ALP-POS-c3a96089-2
0.365
ALP-POS-d7944b10-2
0.365
DAR-DIA-6a49afbe-3
0.363
JOH-UNI-6e27fddc-8
0.362
RAL-THA-2d450e86-2
0.361
MIC-UNK-b9827f26-3
0.361
BEN-DND-61647d40-15
0.360
RAL-THA-2d450e86-34
0.360
MAT-POS-de59a476-2
0.360
DAR-DIA-6a49afbe-5
0.359
ALP-POS-25b4df59-2
0.358
ALP-POS-25b4df59-1
0.358
ALP-POS-c3a96089-1
0.358
RAL-THA-2d450e86-30
0.357
MAT-POS-fce787c2-2
0.357
MIC-UNK-37660950-2
0.356
MIC-UNK-37660950-1
0.356
ERI-UCB-ce40166b-10
0.356
ALP-POS-df536be7-5
0.355
ALP-POS-d7944b10-8
0.353
RAL-THA-2d450e86-20
0.352
MAT-POS-afd4d4fd-1
0.352
NAU-LAT-a5c7d7cb-5
0.351
ALP-POS-d7944b10-7
0.350
ALP-POS-d7944b10-10
0.350