Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)cc(Cl)c1F)Nc1cnn2ccncc12 |
MW: | 338.01 |
Fraction sp3: | 0.07 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 59.29 |
cLogP: | 3.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
halogenated ring
JUL-TUD-06b2044f-20
0.494
JUL-TUD-06b2044f-2
0.418
BEN-DND-02317c5c-10
0.364
JIN-POS-6dc588a4-9
0.364
NAU-LAT-30527ac5-2
0.312
JAG-UCB-a3ef7265-5
0.303
MAR-TRE-7f7bb9f0-91
0.292
JUL-TUD-06b2044f-119
0.292
RAL-THA-2d450e86-25
0.284
PET-UNK-dd44aeb6-1
0.284
SAM-UNK-2684b532-11
0.283
MAK-UNK-a7b37c5e-1
0.282
MAK-UNK-a7b37c5e-4
0.277
MAT-POS-3b92565d-7
0.276
JUL-TUD-06b2044f-136
0.274
EDG-MED-0da5ad92-7
0.273
ALP-POS-95b75b4d-8
0.273
SAM-UNK-2684b532-13
0.273
CHO-MSK-6e55470f-13
0.273
ALP-POS-d054b76b-7
0.272
NAU-LAT-30527ac5-1
0.272
MAT-POS-f42f3716-6
0.272
RAL-THA-2d450e86-19
0.271
ALP-POS-df536be7-3
0.269
JIN-POS-6dc588a4-4
0.269
RUB-POS-1325a9ea-19
0.269
SAM-UNK-2684b532-12
0.269
MAT-POS-bb423b95-5
0.269
RUB-POS-1325a9ea-15
0.268
RAL-THA-6b94ceba-5
0.268
DAR-DIA-23aa0b97-16
0.267
EDG-MED-0da5ad92-2
0.264
VLA-UNK-b9c208fe-2
0.263
RAL-THA-2d450e86-34
0.263
MAT-POS-c9973a83-1
0.263
RAL-THA-6b94ceba-6
0.263
RAL-THA-6b94ceba-8
0.263
MAT-POS-044491d2-7
0.262
RAL-THA-6b94ceba-9
0.260
NAU-LAT-0543f7f2-8
0.260
BAR-COM-0f94fc3d-26
0.260
MAK-UNK-6ca90168-23
0.258
BAR-COM-0f94fc3d-34
0.258
PET-UNK-dd44aeb6-2
0.258
RAL-THA-2d450e86-24
0.258
DAR-DIA-23e5a6a0-29
0.257
NAU-LAT-30527ac5-5
0.257
ALP-POS-d7944b10-16
0.257
NAU-LAT-0543f7f2-3
0.257
CHO-MSK-6e55470f-12
0.256
TRY-UNI-2eddb1ff-2
0.256
BEN-DND-61647d40-18
0.256
ALP-POS-95b75b4d-6
0.256
EDG-MED-0da5ad92-8
0.256
JIN-POS-6dc588a4-11
0.255
BAR-COM-0f94fc3d-41
0.255
JUL-TUD-06b2044f-95
0.255
NAU-LAT-0543f7f2-4
0.255
ALP-POS-d054b76b-6
0.254
BEN-DND-61647d40-17
0.253
TRY-UNI-714a760b-6
0.253
EDJ-MED-49816e9b-1
0.253
NAU-LAT-3f5f3993-7
0.253
ALP-POS-95b75b4d-7
0.253
VLA-UNK-9a7dc93f-1
0.253
RAL-THA-6b94ceba-12
0.253
RAL-THA-6b94ceba-16
0.253
MIC-UNK-df9dcda8-4
0.252
BAR-COM-0f94fc3d-44
0.252
ALP-POS-6479a3a9-3
0.252
ALP-POS-d7944b10-1
0.252
DAR-DIA-23e5a6a0-25
0.252
DAR-DIA-23e5a6a0-23
0.252
RAL-THA-6b94ceba-1
0.252
MIC-UNK-ea979c74-3
0.252
CHR-SOS-7098f804-18
0.250
NAU-LAT-0543f7f2-7
0.250
NAU-LAT-3f5f3993-9
0.250
WIL-MOD-03b86a88-4
0.250
DAR-DIA-842b4336-13
0.250
EDJ-MED-dd2a8363-2
0.250
DAR-DIA-842b4336-11
0.250
WIL-MOD-03b86a88-6
0.250
ALP-POS-95b75b4d-5
0.250
MAT-POS-f42f3716-7
0.250
VLA-UNK-b9c208fe-1
0.250
MAT-POS-bb423b95-4
0.250
EDJ-MED-dd2a8363-1
0.248
TRY-UNI-9f475305-1
0.248
PET-UNK-bb7ffe78-2
0.248
WIL-MOD-03b86a88-2
0.248
MIC-UNK-df9dcda8-3
0.248
NAU-LAT-0543f7f2-6
0.248
VLA-UNK-82501c2c-2
0.247
RAL-THA-2d450e86-26
0.247
JIN-POS-6dc588a4-13
0.247
DAR-DIA-0cde14eb-64
0.247
JOH-UNI-abfda500-5
0.247
JAG-UCB-a3ef7265-4
0.247
JOH-UNI-abfda500-4
0.247