Molecular Properties | |
SMILES: | O=C(Cc1cncc2ccccc12)Nc1ccc(Cl)s1 |
MW: | 302.03 |
Fraction sp3: | 0.07 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.99 |
cLogP: | 4.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-23aa0b97-20
0.591
PET-UNK-8922bd3c-1
0.562
DAR-DIA-6a49afbe-9
0.514
DAR-DIA-6a49afbe-1
0.507
DAR-DIA-6a49afbe-7
0.506
DAR-DIA-23aa0b97-19
0.500
DAR-DIA-6a49afbe-8
0.487
ERI-UCB-ce40166b-8
0.471
DAR-DIA-6a49afbe-2
0.469
MAT-POS-6344a35d-1
0.457
DAR-DIA-6a49afbe-11
0.455
NAU-LAT-2fed8305-6
0.455
ERI-UCB-ce40166b-4
0.453
ERI-UCB-ce40166b-5
0.446
DAR-DIA-6a49afbe-12
0.442
ERI-UCB-ce40166b-7
0.441
ERI-UCB-ce40166b-1
0.438
ERI-UCB-ce40166b-6
0.432
ERI-UCB-ce40166b-3
0.429
MIC-UNK-a28eba03-2
0.421
ERI-UCB-ce40166b-2
0.419
ERI-UCB-ce40166b-12
0.419
DAR-DIA-6a49afbe-10
0.413
ERI-UCB-ce40166b-9
0.411
MIC-UNK-a28eba03-4
0.410
MAK-UNK-b7886382-3
0.405
MIC-UNK-d36ab305-3
0.402
ERI-UCB-ce40166b-10
0.398
RAL-THA-2d450e86-36
0.397
DAR-DIA-842b4336-17
0.395
RAL-THA-2d450e86-34
0.395
MAK-UNK-919546f0-4
0.395
ERI-UCB-ce40166b-11
0.394
ALP-POS-b3306dea-1
0.394
MAK-UNK-b7886382-4
0.393
MAT-POS-fce787c2-2
0.392
NAU-LAT-a5c7d7cb-8
0.391
MIC-UNK-a28eba03-3
0.390
MIC-UNK-d36ab305-6
0.389
MIC-UNK-a28eba03-1
0.386
JOH-UNI-ea1df7a8-1
0.385
ALP-POS-c3a96089-3
0.384
RAL-THA-2d450e86-33
0.383
MAT-POS-23a8a11a-1
0.383
PET-UNK-3c72d439-1
0.381
RAL-THA-2d450e86-14
0.381
DAR-DIA-6a508060-1
0.380
JUL-TUD-06b2044f-52
0.380
RAL-THA-2d450e86-2
0.380
MAT-POS-afd4d4fd-3
0.378
RAL-THA-2d450e86-30
0.375
MAT-POS-6c284e65-2
0.374
ALP-POS-c3a96089-4
0.374
NAU-LAT-2fed8305-5
0.373
ALP-POS-7c6e02c7-2
0.373
MAT-POS-173a45da-1
0.372
ALP-POS-75715966-2
0.372
NAU-LAT-a5c7d7cb-4
0.372
RAL-THA-2d450e86-22
0.372
PET-UNK-1901c25b-1
0.370
MAT-POS-afd4d4fd-1
0.369
RAL-THA-2d450e86-25
0.369
PET-UNK-dd44aeb6-2
0.369
RAL-THA-2d450e86-20
0.369
RAL-THA-2d450e86-27
0.369
PET-UNK-dd44aeb6-1
0.369
RAL-THA-2d450e86-19
0.369
RAL-THA-2d450e86-24
0.369
ALP-POS-64a710fa-2
0.367
ADA-UCB-6c2cb422-1
0.366
NAU-LAT-2fed8305-9
0.366
MAK-UNK-c749d764-11
0.365
RAL-THA-2d450e86-6
0.365
RAL-THA-2d450e86-8
0.365
RAL-THA-2d450e86-15
0.365
MAT-POS-fce787c2-1
0.364
RAL-THA-2d450e86-1
0.364
RAL-THA-2d450e86-38
0.362
RAL-THA-2d450e86-37
0.362
MIC-UNK-460e637d-1
0.362
MAT-POS-afd4d4fd-2
0.361
VLA-UNK-b9c208fe-2
0.361
BEN-DND-61647d40-15
0.361
MAK-UNK-c749d764-32
0.360
VLA-UNK-9a7dc93f-1
0.360
ALP-POS-c3a96089-1
0.359
BEN-DND-61647d40-16
0.357
RAL-THA-2d450e86-21
0.356
RAL-THA-1d44ff04-3
0.356
MIC-UNK-df9dcda8-4
0.356
DAR-DIA-6a49afbe-4
0.354
MIC-UNK-df9dcda8-3
0.352
NAU-LAT-a5c7d7cb-5
0.352
MAK-UNK-b7886382-5
0.351
ALP-POS-c3a96089-2
0.351
ALP-POS-7c6e02c7-1
0.351
DAR-DIA-6a49afbe-3
0.350
RAL-THA-2d450e86-3
0.350
RAL-THA-2d450e86-9
0.349
RAL-THA-2d450e86-29
0.348