Molecular Properties | |
SMILES: | Cn1ncc(NC(=O)C2COc3cc(Cl)c(Cl)cc32)c1C1CC1 |
MW: | 351.05 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 56.15 |
cLogP: | 3.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JUL-TUD-06b2044f-11
0.477
JUL-TUD-06b2044f-25
0.465
JUL-TUD-06b2044f-27
0.380
JUL-TUD-06b2044f-106
0.379
RAL-THA-05e671eb-2
0.371
RYA-UNI-6d7114fd-1
0.371
ALP-POS-869ac754-1
0.371
ROB-UNI-6ee2df8c-1
0.367
JUL-TUD-06b2044f-63
0.359
JAG-UCB-c61058a9-3
0.358
MAT-POS-a2421bb6-4
0.357
VLA-UNK-56836b69-4
0.357
JUL-TUD-06b2044f-41
0.356
MAT-POS-f7918075-2
0.354
EDJ-MED-12c115cc-1
0.354
EDJ-MED-12c115cc-2
0.354
MAT-POS-bbbbc21a-2
0.354
JUL-TUD-06b2044f-8
0.354
JUL-TUD-06b2044f-24
0.344
JAG-UCB-a3ef7265-24
0.343
BEN-DND-02317c5c-2
0.340
JAG-UCB-c61058a9-27
0.337
JAG-UCB-a3ef7265-3
0.337
JAG-UCB-c61058a9-5
0.333
MAR-UCB-6ab2ec87-5
0.333
ERI-UCB-b3e6b0c2-7
0.330
ERI-UCB-b3e6b0c2-15
0.330
JAG-UCB-47403a7c-1
0.330
JAG-UCB-c61058a9-1
0.330
PET-UNK-e274cad4-2
0.327
JUL-TUD-06b2044f-7
0.324
ERI-UCB-b3e6b0c2-10
0.320
JUL-TUD-06b2044f-140
0.320
ERI-UCB-b3e6b0c2-1
0.317
ALF-EVA-a24cc7ce-1
0.317
MAT-POS-afb6844f-4
0.314
ALF-EVA-ced740bd-4
0.313
JAG-UCB-c61058a9-7
0.313
MIC-UNK-deda7a44-5
0.312
NAU-LAT-8502cac5-2
0.312
JAG-UCB-c61058a9-14
0.312
JAG-UCB-c61058a9-18
0.312
ERI-UCB-b3e6b0c2-14
0.310
EDJ-MED-fb4b7746-1
0.308
MAT-POS-2bb0cf2b-2
0.308
ALP-UNI-3735e77e-3
0.308
RAL-THA-05e671eb-11
0.308
JAG-UCB-a3ef7265-7
0.308
PET-UNK-e274cad4-7
0.308
ERI-UCB-b3e6b0c2-6
0.307
MAT-POS-afb6844f-2
0.307
EDJ-MED-51d3200d-4
0.307
JAG-UCB-c61058a9-6
0.306
MAT-POS-a13804f0-2
0.305
MAT-POS-a13804f0-3
0.305
ALP-POS-d91e0300-1
0.305
RAL-THA-05e671eb-10
0.305
ADA-UCB-dc2b944c-8
0.305
RAL-THA-05e671eb-9
0.305
ALP-POS-fe871b40-9
0.305
ALF-EVA-ced740bd-3
0.303
MAT-POS-96f51285-4
0.303
EDJ-MED-611d11e7-3
0.303
MAT-POS-d8472c4f-6
0.302
MAT-POS-14f31916-1
0.302
MAT-POS-8293a91a-1
0.300
MAT-POS-7ddaf7de-4
0.300
JUL-TUD-06b2044f-2
0.300
ADA-UCB-dc2b944c-12
0.298
JOH-SUS-a69c159d-1
0.298
ERI-UCB-9c7ec71b-2
0.297
EDJ-MED-e9694d2b-1
0.297
VLA-UCB-53bdeed6-3
0.297
JUL-TUD-06b2044f-22
0.296
RAL-THA-3d7a794f-4
0.296
JAG-UCB-c61058a9-28
0.296
MAT-POS-afb6844f-5
0.295
MIC-UNK-b904ca85-2
0.295
JAG-UCB-c61058a9-2
0.294
JAG-UCB-c61058a9-11
0.294
JUL-TUD-06b2044f-44
0.293
MAK-UNK-8be7dca9-9
0.292
EDJ-MED-611d11e7-6
0.292
JOH-UNI-1b27fa5e-1
0.292
MAT-POS-96f51285-5
0.292
PET-UNK-f4e47ebd-6
0.292
MAT-POS-ec6d90b7-7
0.292
EDJ-MED-611d11e7-9
0.291
EDG-MED-0e5afe9d-1
0.291
MAT-POS-96f51285-3
0.291
EDJ-MED-fb4b7746-4
0.291
MAT-POS-b3e365b9-3
0.290
MAT-POS-b3e365b9-4
0.290
NAU-LAT-8502cac5-16
0.290
JAN-GHE-f4ca5a00-13
0.290
DAR-DIA-6a508060-6
0.290
BRU-CON-c4e3408a-1
0.290
PET-UNK-f4e47ebd-5
0.290
MAT-POS-a5ef2d74-1
0.290
EDJ-MED-611d11e7-12
0.290