Molecular Properties | |
SMILES: | O=C(Nn1nncc1C1CC1)C1COc2cc(Cl)c(Cl)cc21 |
MW: | 338.03 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 69.04 |
cLogP: | 2.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Singel acyclic N-N bonds
JUL-TUD-06b2044f-24
0.764
JAN-GHE-f4ca5a00-23
0.536
JUL-TUD-06b2044f-10
0.465
JUL-TUD-06b2044f-106
0.433
JUL-TUD-06b2044f-27
0.389
JAN-GHE-f4ca5a00-17
0.388
JUL-TUD-06b2044f-41
0.363
JUL-TUD-06b2044f-8
0.347
JAN-GHE-f4ca5a00-20
0.344
JUL-TUD-06b2044f-7
0.330
RYA-UNI-6d7114fd-1
0.323
RAL-THA-05e671eb-2
0.323
ALP-POS-869ac754-1
0.323
BEN-DND-02317c5c-2
0.320
JAG-UCB-c61058a9-27
0.316
JUL-TUD-06b2044f-140
0.313
VLA-UNK-56836b69-4
0.310
ROB-UNI-6ee2df8c-1
0.307
JUL-TUD-06b2044f-63
0.302
JUL-TUD-06b2044f-31
0.298
JAN-GHE-f4ca5a00-21
0.290
JAG-UCB-c61058a9-3
0.283
MAT-POS-bbbbc21a-2
0.280
MAT-POS-f7918075-2
0.280
EDJ-MED-12c115cc-1
0.280
EDJ-MED-12c115cc-2
0.280
JAG-UCB-c61058a9-18
0.278
NAU-LAT-8502cac5-2
0.278
MIC-UNK-deda7a44-5
0.278
JAG-UCB-c61058a9-28
0.276
JAG-UCB-a3ef7265-3
0.276
JAG-UCB-c61058a9-29
0.270
JUL-TUD-06b2044f-105
0.268
FRA-DIA-0fa076fe-2
0.267
JAG-UCB-c61058a9-14
0.265
JAN-GHE-f4ca5a00-22
0.265
ALP-UNI-3735e77e-3
0.264
RAL-THA-05e671eb-11
0.264
RAL-THA-05e671eb-10
0.262
MAT-POS-a13804f0-2
0.262
MAT-POS-a13804f0-3
0.262
ALP-POS-d91e0300-1
0.262
ALP-POS-fe871b40-9
0.262
MAT-POS-96f51285-4
0.261
EDJ-MED-611d11e7-3
0.261
ALP-POS-bea7b391-3
0.261
JUL-TUD-06b2044f-44
0.260
NAU-LAT-8502cac5-6
0.260
JAG-UCB-a3ef7265-7
0.258
JAG-UCB-c61058a9-5
0.258
FRA-DIA-0fa076fe-3
0.257
JAG-UCB-c61058a9-1
0.257
JAG-UCB-47403a7c-1
0.257
JAG-UCB-c61058a9-22
0.255
JAG-UCB-c61058a9-7
0.255
PET-UNK-f4e47ebd-6
0.250
BEN-DND-02317c5c-4
0.250
JUL-TUD-06b2044f-3
0.250
ERI-UCB-b3e6b0c2-1
0.250
RAL-THA-05e671eb-9
0.250
MAR-UCB-6ab2ec87-5
0.250
JUL-TUD-06b2044f-66
0.250
ADA-UCB-dc2b944c-9
0.248
JAG-UCB-a3ef7265-24
0.248
ALF-EVA-a24cc7ce-1
0.248
ALF-EVA-a24cc7ce-2
0.248
ALF-EVA-a24cc7ce-8
0.248
JAG-UCB-c61058a9-6
0.248
NIR-THE-47736cde-2
0.245
NIR-THE-47736cde-1
0.245
MAT-POS-e69ad64a-2
0.245
JAN-GHE-f4ca5a00-1
0.245
ALF-EVA-a24cc7ce-4
0.245
ADA-UCB-dc2b944c-12
0.243
JOH-SUS-a69c159d-1
0.243
JUL-TUD-06b2044f-2
0.243
ALF-EVA-ced740bd-4
0.243
JUL-TUD-06b2044f-23
0.243
ERI-UCB-b3e6b0c2-10
0.241
JAG-UCB-c61058a9-19
0.240
MIC-UNK-13557a72-2
0.240
RAL-THA-4aa06b95-4
0.239
JOH-UNI-1b27fa5e-2
0.239
MAT-POS-ec6d90b7-7
0.239
JOH-UNI-1b27fa5e-1
0.239
ADA-UCB-dc2b944c-8
0.239
EDJ-MED-611d11e7-6
0.239
ALF-EVA-5b152d2f-4
0.239
MAT-POS-96f51285-5
0.239
MAT-POS-500f4700-1
0.238
JAG-UCB-c61058a9-11
0.238
FRA-DIA-c7e803f4-1
0.238
FRA-DIA-0fa076fe-1
0.238
ERI-UCB-b3e6b0c2-14
0.237
RAL-THA-b9d6aec1-1
0.237
MAT-POS-ec6d90b7-3
0.236
JOH-UNI-f51e3bbc-3
0.236
EDJ-MED-611d11e7-12
0.236
PET-UNK-f4e47ebd-5
0.236
MAT-POS-a5ef2d74-1
0.236