Molecular Properties | |
SMILES: | CC1COc2c(F)cc(Cl)cc2C1C(=O)Nc1cnc2c(F)cccn12 |
MW: | 377.07 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 55.63 |
cLogP: | 4.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JUL-TUD-06b2044f-55
0.408
DAR-DIA-0d514e7d-16
0.379
DAR-DIA-0d514e7d-14
0.373
JUL-TUD-06b2044f-4
0.366
DAR-DIA-0d514e7d-12
0.364
DAR-DIA-0d514e7d-13
0.362
DAR-DIA-0d514e7d-17
0.362
DAR-DIA-0d514e7d-23
0.362
DAR-DIA-0d514e7d-15
0.361
DAR-DIA-0d514e7d-9
0.360
MAT-POS-51833a24-4
0.357
DAR-DIA-0d514e7d-5
0.356
DAR-DIA-0d514e7d-22
0.350
DAR-DIA-0d514e7d-7
0.345
DAR-DIA-0d514e7d-4
0.345
DAR-DIA-0d514e7d-10
0.344
DAR-DIA-0d514e7d-24
0.342
DAR-DIA-0d514e7d-1
0.339
DAR-DIA-0d514e7d-2
0.339
DAR-DIA-0d514e7d-18
0.339
DAR-DIA-0d514e7d-20
0.339
DAR-DIA-0d514e7d-19
0.336
DAR-DIA-0d514e7d-21
0.336
DAR-DIA-0d514e7d-6
0.333
BEN-DND-02317c5c-4
0.304
EDJ-MED-b24713dc-4
0.302
MAT-POS-8a69d52e-5
0.296
MAT-POS-8a69d52e-7
0.296
EDJ-MED-e4b030d8-11
0.296
BRU-THA-01b12488-1
0.296
ADA-UCB-dc2b944c-13
0.296
MAT-POS-8a69d52e-4
0.296
ADA-UCB-dc2b944c-14
0.296
MAT-POS-8a69d52e-6
0.296
EDG-MED-fe7487f8-2
0.295
EDG-MED-4b32601a-1
0.295
BEN-DND-02317c5c-3
0.289
MAT-POS-51833a24-1
0.289
JUL-TUD-06b2044f-8
0.288
RAL-THA-05e671eb-17
0.282
EDJ-MED-827e7cb4-7
0.278
JUL-TUD-06b2044f-7
0.276
ROB-UNI-8bf7c232-1
0.274
EDJ-MED-dd2a8363-2
0.274
BEN-DND-02317c5c-7
0.271
ALF-EVA-5b152d2f-6
0.267
BEN-DND-02317c5c-6
0.265
MAR-UCB-fd2e172f-40
0.262
BEN-DND-a02b439d-7
0.261
MAT-POS-51833a24-5
0.261
PET-UNK-81b485b5-19
0.260
PET-UNK-81b485b5-5
0.260
BEN-DND-02317c5c-2
0.256
BEN-DND-a02b439d-8
0.254
RAL-THA-9041a04d-6
0.254
PET-UNK-8df914d1-2
0.252
PET-UNK-b38839dc-15
0.252
MAT-POS-51833a24-6
0.252
BEN-DND-02317c5c-9
0.250
EDJ-MED-d1555997-1
0.250
EDJ-MED-50fe53e8-4
0.250
PET-UNK-2c6614b6-4
0.248
JUL-TUD-06b2044f-103
0.248
MAT-POS-51833a24-2
0.248
BEN-DND-a02b439d-6
0.248
EDJ-MED-94fddcec-2
0.246
PET-UNK-b38839dc-6
0.244
EDJ-MED-dd2a8363-4
0.244
MAR-UCB-fd2e172f-8
0.244
PET-UNK-b78139fa-4
0.244
DAR-DIA-9f765dc6-7
0.242
DAR-DIA-9f765dc6-9
0.242
DAR-DIA-9f765dc6-8
0.242
JAG-UCB-52b62a6f-5
0.242
JOH-UNI-04a01eac-4
0.242
BEN-DND-a7517465-5
0.242
MAT-POS-51833a24-3
0.242
NAU-LAT-8502cac5-14
0.242
EDJ-MED-827e7cb4-8
0.240
JAG-UCB-52b62a6f-1
0.240
PET-UNK-b1ef24dc-15
0.240
DAR-DIA-bd041b9b-9
0.239
MAR-UCB-6ab2ec87-4
0.239
BEN-DND-a02b439d-9
0.239
RAL-THA-3d7a794f-4
0.239
JAG-UCB-c61058a9-27
0.239
PET-UNK-158bee2a-11
0.239
DAR-DIA-0d514e7d-11
0.238
EDJ-MED-51d3200d-2
0.238
DAR-DIA-0d514e7d-8
0.238
EDJ-MED-51d3200d-1
0.238
MAT-POS-a2421bb6-4
0.237
EDJ-MED-6e43a462-5
0.236
PET-UNK-b38839dc-9
0.236
EDJ-MED-97c1bf5c-5
0.236
MAT-POS-500f4700-2
0.235
BEN-DND-a02b439d-4
0.235
DAR-DIA-bd041b9b-10
0.235
BEN-DND-02317c5c-5
0.235
PET-UNK-b38839dc-16
0.234