Molecular Properties | |
SMILES: | O=C1CC(C(=O)Nn2cnc3ccccc32)c2cc(Br)ccc2N1 |
MW: | 384.02 |
Fraction sp3: | 0.12 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 76.02 |
cLogP: | 2.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1890058431 |
Enamine Extended REAL: | s_22____294368____9421266 |
Singel acyclic N-N bonds
Filter9_metal
aryl bromide
AAR-POS-d2a4d1df-1
MAT-POS-8d5af1ef-1
0.454
BAR-COM-0f94fc3d-29
0.434
JAN-GHE-f4ca5a00-1
0.414
BAR-COM-0f94fc3d-24
0.368
MAT-POS-3b92565d-12
0.364
MAT-POS-c478e61b-1
0.364
BAR-COM-0f94fc3d-12
0.363
TAT-ENA-80bfd3e5-12
0.360
JAN-GHE-5a013bed-2
0.359
BAR-COM-0f94fc3d-42
0.356
JAN-GHE-f4ca5a00-7
0.354
BAR-COM-0f94fc3d-10
0.351
MAT-POS-c478e61b-2
0.345
MAT-POS-3b92565d-10
0.343
BAR-COM-0f94fc3d-32
0.343
BAR-COM-0f94fc3d-8
0.343
MAT-POS-3b92565d-11
0.340
TAT-ENA-80bfd3e5-33
0.327
ALP-POS-bad7201a-8
0.327
KRI-MAR-d2e3ef86-2
0.327
JAN-GHE-f4ca5a00-3
0.321
ALP-POS-8ed8d9ec-3
0.318
JAN-GHE-f4ca5a00-9
0.317
ALP-POS-a3de0cb1-7
0.315
MAT-POS-06036648-8
0.311
ALP-POS-8ed8d9ec-14
0.308
MIC-UNK-45817b9b-1
0.306
EDJ-MED-a6bd50ad-1
0.306
MAT-POS-43c25e9b-2
0.306
MAT-POS-43c25e9b-1
0.306
ALP-POS-a3de0cb1-12
0.305
ALP-POS-bad7201a-7
0.287
ALP-POS-fe871b40-15
0.286
MAT-POS-35d3f55a-1
0.283
ALP-POS-8ed8d9ec-9
0.277
ALP-POS-fe871b40-16
0.270
VLA-UNK-56836b69-1
0.270
MIC-UNK-8758c41d-3
0.270
UNK-UNK-2ede4078-39
0.270
JAN-GHE-f4ca5a00-2
0.265
JAG-UCB-c61058a9-19
0.257
ALP-POS-fe871b40-14
0.254
MAR-TRE-fd17a9b8-51
0.250
UNK-UNK-2ede4078-25
0.246
KRI-MAR-d2e3ef86-19
0.246
JAN-GHE-74b8b0cb-2
0.242
JAG-UCB-ef2c0e8e-2
0.237
MAT-POS-450cb4f9-1
0.236
JAN-GHE-74b8b0cb-1
0.235
VLA-UNK-9a7dc93f-3
0.235
JAN-GHE-f4ca5a00-8
0.231
JAG-UCB-c61058a9-28
0.231
BEN-DND-61647d40-3
0.231
BEN-BAS-0534ec5c-1
0.230
JAG-UCB-c61058a9-17
0.227
BRU-THA-a358fbdd-3
0.227
MAT-POS-f39f51fd-1
0.226
BEN-DND-61647d40-13
0.223
BEN-DND-02317c5c-11
0.223
JIN-POS-6dc588a4-1
0.223
JAG-UCB-c61058a9-26
0.223
NAU-LAT-1b663c1e-7
0.222
DAR-DIA-ecdbc7dd-6
0.221
DRV-DNY-ae159ed1-4
0.220
IAN-BAS-5394d4c4-1
0.218
MAR-TRE-3e4e6814-14
0.217
ROB-UNI-daaf9793-2
0.217
NAU-LAT-a5c7d7cb-14
0.217
JAN-GHE-5a013bed-3
0.217
ALP-POS-fe871b40-13
0.217
NAU-LAT-1b663c1e-6
0.216
DAR-DIA-53551c05-9
0.215
DRV-DNY-ae159ed1-10
0.214
MAT-POS-162a9720-10
0.213
JUL-TUD-06b2044f-106
0.212
MAR-TRE-4b834d9a-18
0.212
EDJ-MED-dd2a8363-1
0.212
ALF-EVA-b701bd13-6
0.212
MAT-POS-b5746674-1
0.212
MAT-POS-162a9720-3
0.212
MAR-TRE-a9136c7b-45
0.211
MAR-TRE-74c6519b-3
0.211
JAG-UCB-c61058a9-16
0.211
TAT-ENA-80bfd3e5-19
0.209
MAR-TRE-92684b97-49
0.209
MAR-TRE-04c86cea-6
0.208
NAU-LAT-1b663c1e-5
0.208
MAR-TRE-92684b97-28
0.208
MAR-TRE-d0525fbf-38
0.207
MAR-TRE-b77b7921-84
0.207
MAR-TRE-c8530538-4
0.207
MAT-POS-11b63608-1
0.205
COM-UCB-1ef4e90e-10
0.205
COM-UCB-8c7d23dc-7
0.205
JAG-UCB-c61058a9-20
0.204
JAN-GHE-f4ca5a00-5
0.203
MAR-TRE-b77b7921-7
0.203
NAU-LAT-8502cac5-1
0.202
MAR-TRE-4b834d9a-5
0.202
MAR-TRE-4b834d9a-47
0.202