Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)c(F)cc1F)Nc1cncc2c1cnn2CC1CCO1 |
MW: | 392.09 |
Fraction sp3: | 0.28 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 69.04 |
cLogP: | 3.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
halogenated ring
Oxetanes, thietanes
JUL-TUD-06b2044f-32
0.340
RUB-POS-1325a9ea-15
0.337
JUL-TUD-06b2044f-18
0.327
JUL-TUD-06b2044f-37
0.324
JUL-TUD-06b2044f-36
0.324
PET-UNK-dd44aeb6-1
0.314
RAL-THA-2d450e86-25
0.314
BAR-COM-0f94fc3d-34
0.303
RAL-THA-2d450e86-6
0.298
ALP-POS-df536be7-5
0.294
JUL-TUD-06b2044f-86
0.292
JIN-POS-6dc588a4-13
0.291
RAL-THA-2d450e86-26
0.291
RAL-THA-2d450e86-27
0.288
RAL-THA-2d450e86-9
0.286
RUB-POS-1325a9ea-4
0.283
VLA-UNK-9a7dc93f-1
0.283
VLA-UNK-b9c208fe-2
0.282
MAT-POS-afd4d4fd-3
0.282
JUL-TUD-06b2044f-93
0.281
EDJ-MED-50011917-1
0.278
EDJ-MED-50011917-3
0.277
RAL-THA-2d450e86-19
0.276
RAL-THA-2d450e86-24
0.276
PET-UNK-dd44aeb6-2
0.276
ALP-POS-d7944b10-8
0.275
EDJ-MED-50011917-2
0.275
PET-UNK-c6bcc80b-7
0.274
MAK-UNK-ffc90da7-9
0.273
MAT-POS-bbbbc21a-3
0.272
VLA-UNK-82501c2c-1
0.272
ALF-EVA-0b412456-3
0.270
MIC-UNK-df9dcda8-4
0.270
MAT-POS-bb423b95-9
0.269
RAL-THA-2d450e86-34
0.269
MIC-UNK-df9dcda8-1
0.268
RAL-THA-2d450e86-37
0.267
RAL-THA-2d450e86-36
0.267
EDJ-MED-a364e151-3
0.267
VLA-UNK-82501c2c-2
0.267
ALF-EVA-0b412456-1
0.267
JIN-POS-6dc588a4-22
0.267
MAT-POS-90fd5f68-1
0.266
MIC-UNK-df9dcda8-3
0.266
BAR-COM-0f94fc3d-47
0.265
PET-UNK-f4e47ebd-6
0.265
PET-UNK-b1ef24dc-4
0.264
RUB-POS-1325a9ea-5
0.264
PET-UNK-b1ef24dc-3
0.264
RAL-THA-2d450e86-28
0.264
PET-UNK-dd44aeb6-3
0.264
MAT-POS-90fd5f68-4
0.264
BAR-COM-0f94fc3d-28
0.264
BEN-DND-d1eb1f41-4
0.264
RAL-THA-901e9a10-2
0.263
RAL-THA-901e9a10-8
0.263
EDJ-MED-dac03e7f-6
0.263
MAT-POS-a5ef2d74-1
0.263
EDJ-MED-611d11e7-12
0.263
PET-UNK-f4e47ebd-5
0.263
MAT-POS-ec6d90b7-3
0.263
EDG-MED-0da5ad92-8
0.263
ANN-UNI-98d2bf15-1
0.263
TRY-UNI-2eddb1ff-2
0.263
JOH-UNI-abfda500-6
0.263
ALP-POS-bb8a3193-7
0.262
RAL-THA-2d450e86-8
0.262
JIN-POS-6dc588a4-11
0.262
BEN-DND-d1eb1f41-6
0.261
MAT-POS-90fd5f68-8
0.261
PET-UNK-03fd2068-2
0.261
ALF-EVA-0b412456-4
0.260
MAT-POS-23a8a11a-1
0.260
MAT-POS-29385cc1-3
0.259
MAT-POS-c20a539d-6
0.259
MAK-UNK-c749d764-32
0.259
MAT-POS-29385cc1-2
0.259
PET-UNK-d899bab6-2
0.259
MAT-POS-90fd5f68-26
0.259
ALP-POS-df536be7-1
0.259
EDJ-MED-7320d5d2-1
0.258
ALP-POS-d7944b10-17
0.258
MAT-POS-3b92565d-3
0.258
ALP-POS-3b848b35-2
0.258
ALF-EVA-0b412456-5
0.258
MAR-TRE-7f7bb9f0-91
0.257
MAT-POS-bb423b95-1
0.257
RAL-THA-2d450e86-21
0.257
JUL-TUD-06b2044f-94
0.257
MAT-POS-29385cc1-1
0.257
PET-UNK-b38839dc-1
0.257
VLA-UNK-b9c208fe-1
0.257
PET-UNK-7fb4f80a-4
0.256
RAL-THA-05e671eb-11
0.256
ALP-UNI-3735e77e-3
0.256
PET-UNK-7f7e354d-7
0.255
RAL-THA-2d450e86-23
0.255
JUL-TUD-06b2044f-96
0.255
ALP-POS-fe871b40-9
0.254
RAL-THA-05e671eb-10
0.254