Molecular Properties | |
SMILES: | FC(F)(F)C(Cc1ccc(Cl)c(Cl)c1)Nc1cncc2ccccc12 |
MW: | 384.04 |
Fraction sp3: | 0.17 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 24.92 |
cLogP: | 6.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
high halogen content (>3)
BEN-DND-d1eb1f41-14
0.620
MAT-POS-23a8a11a-1
0.487
MAT-POS-fce787c2-6
0.422
RAL-THA-2d450e86-6
0.412
MAT-POS-fce787c2-11
0.412
MAT-POS-fce787c2-5
0.407
DAR-DIA-6a49afbe-9
0.398
RAL-THA-2d450e86-8
0.395
RAL-THA-2d450e86-9
0.395
VLA-UNK-b9c208fe-2
0.393
MAT-POS-de59a476-1
0.388
MAT-POS-fce787c2-4
0.388
MAT-POS-fce787c2-3
0.388
MAT-POS-1f3f1a6f-1
0.388
MAT-POS-e9e99895-1
0.379
MAT-POS-fce787c2-7
0.379
MAT-POS-1f3f1a6f-3
0.378
MAT-POS-fce787c2-9
0.375
MAT-POS-de59a476-2
0.375
VLA-UNK-9a7dc93f-1
0.375
MAT-POS-1f3f1a6f-4
0.372
MAT-POS-1f3f1a6f-2
0.371
MAT-POS-fce787c2-8
0.371
MAT-POS-de59a476-5
0.370
PET-UNK-8c422e11-1
0.370
MIC-UNK-644c43c7-4
0.368
RAL-THA-2d450e86-32
0.365
MAT-POS-de59a476-4
0.362
RAL-THA-2d450e86-36
0.361
RAL-THA-2d450e86-2
0.361
MAT-POS-fce787c2-10
0.361
MAT-POS-e9e99895-10
0.358
RAL-THA-2d450e86-30
0.357
MAT-POS-fce787c2-2
0.357
DAR-DIA-0587064e-1
0.354
PET-UNK-dd44aeb6-2
0.352
RAL-THA-2d450e86-24
0.352
VLA-UNK-b9c208fe-1
0.351
MIC-UNK-644c43c7-2
0.350
RAL-THA-2d450e86-3
0.349
ADA-UCB-6c2cb422-1
0.349
RAL-THA-2d450e86-15
0.348
RAL-THA-2d450e86-14
0.348
RAL-THA-2d450e86-31
0.348
MIC-UNK-16ccb665-3
0.348
PET-UNK-8c422e11-2
0.347
MIC-UNK-08fa0751-2
0.347
PET-UNK-bb7ffe78-2
0.347
MAT-POS-e9e99895-11
0.347
RAL-THA-2d450e86-7
0.345
ALP-POS-76eab5ce-1
0.345
RAL-THA-2d450e86-13
0.345
MAT-POS-d8472c4f-4
0.344
MAT-POS-e9e99895-12
0.343
MAT-POS-e9e99895-2
0.342
RAL-THA-2d450e86-35
0.341
RAL-THA-2d450e86-16
0.341
PET-UNK-8c422e11-4
0.340
UNK-UNK-2ede4078-34
0.337
RAL-THA-2d450e86-4
0.337
ALP-POS-f13221e1-3
0.337
PET-UNK-dd44aeb6-1
0.337
RAL-THA-2d450e86-25
0.337
RAL-THA-2d450e86-19
0.337
MIC-UNK-df9dcda8-3
0.337
PET-UNK-8c422e11-3
0.337
MIC-UNK-16ccb665-2
0.337
MIC-UNK-16ccb665-1
0.337
MIC-UNK-644c43c7-3
0.337
NAU-LAT-2fed8305-9
0.333
MAT-POS-281d2ee9-1
0.333
RAL-THA-2d450e86-10
0.333
MAT-POS-de59a476-6
0.333
MAT-POS-de59a476-3
0.330
EDJ-MED-2f867453-2
0.330
VLA-UNK-9a7dc93f-5
0.330
EDJ-MED-cf4b0d25-4
0.330
VLA-UNK-9a7dc93f-6
0.330
MAT-POS-e69ad64a-3
0.330
MAK-UNK-c749d764-32
0.330
PET-UNK-bb7ffe78-1
0.330
MAT-POS-afd4d4fd-3
0.330
PET-UNK-c9c1e0d8-1
0.330
RAL-THA-2d450e86-34
0.330
RAL-THA-2d450e86-1
0.329
LON-WEI-af038623-3
0.329
CLI-TLC-36f34aa2-1
0.327
BEN-DND-a02b439d-1
0.327
MIC-UNK-c66144cb-2
0.327
MIC-UNK-644c43c7-1
0.327
ALP-POS-df536be7-5
0.326
MIC-UNK-df9dcda8-4
0.326
RAL-THA-2d450e86-22
0.326
VLA-UNK-9a7dc93f-7
0.326
ALP-POS-95b75b4d-15
0.326
VLA-UNK-82501c2c-2
0.326
DAR-DIA-2964957d-1
0.326
NAU-LAT-2fed8305-5
0.326
ALP-POS-ddb41b15-6
0.326
PET-UNK-10c83c8b-1
0.324