Molecular Properties | |
SMILES: | O=C1C(=O)N(Cn2nnc3ccccc32)c2cc(Br)ccc21 |
MW: | 355.99 |
Fraction sp3: | 0.07 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 68.09 |
cLogP: | 2.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
diketo group
Filter9_metal
Filter41_12_dicarbonyl
aryl bromide
Ketone
DAR-DIA-53551c05-8
0.638
DAR-DIA-53551c05-14
0.605
DAR-DIA-53551c05-13
0.495
LOR-NEU-c8f11034-9
0.427
DAR-DIA-53551c05-19
0.382
DAR-DIA-53551c05-10
0.379
DAR-DIA-53551c05-1
0.365
ANT-DIA-62e4526e-1
0.349
MAR-LAB-ca4662a6-8
0.330
MAR-LAB-ca4662a6-7
0.325
EDJ-MED-06d94977-2
0.315
MAT-POS-bfb445d4-1
0.315
MAT-POS-3b92565d-14
0.315
BEN-DND-02317c5c-12
0.315
BEN-DND-61647d40-12
0.315
ANT-OPE-45835252-1
0.307
BEN-DND-61647d40-2
0.305
MAR-TRE-423310b6-6
0.304
MAT-POS-3b92565d-13
0.304
MAT-POS-06036648-2
0.301
UNK-UNK-2ede4078-94
0.298
DAR-DIA-093892e4-8
0.296
MAT-POS-06036648-6
0.295
DAR-DIA-667e571f-1
0.292
NAU-LAT-3f5f3993-4
0.292
DAR-DIA-667e571f-4
0.291
DAR-DIA-093892e4-1
0.290
MAT-POS-06036648-9
0.289
UNK-UNK-2ede4078-81
0.289
AAR-POS-8a4e0f60-1
0.288
ALP-POS-c0c213c9-18
0.288
VLA-UCB-50c39ae8-5
0.287
PET-UNK-b75fdf9f-2
0.287
VLA-UCB-05e51b3f-8
0.287
CHO-MSK-00c5269a-3
0.284
ALP-POS-6d04362c-2
0.284
ALP-POS-bad7201a-15
0.284
UNK-UNK-2ede4078-18
0.284
CHO-MSK-00c5269a-1
0.284
DAR-DIA-093892e4-12
0.283
MAT-POS-06036648-1
0.283
EDJ-MED-06d94977-1
0.281
DAR-DIA-093892e4-7
0.280
VLA-UCB-34f3ed0c-2
0.279
RUT-UNI-630c5802-22
0.279
ALP-POS-6d04362c-1
0.278
RAL-THA-4a5dabff-1
0.278
AAR-POS-8a4e0f60-4
0.278
DAR-DIA-53551c05-20
0.278
DAR-DIA-667e571f-2
0.278
DAR-DIA-093892e4-9
0.278
RUT-UNI-630c5802-17
0.277
PET-UNK-1901c25b-3
0.277
PET-UNK-7374c256-2
0.277
RUT-UNI-630c5802-18
0.277
ALP-POS-87c86d55-1
0.277
MAT-POS-06036648-5
0.277
MAT-POS-06036648-4
0.277
CHO-MSK-00c5269a-2
0.276
DAR-DIA-093892e4-5
0.276
DAR-DIA-093892e4-11
0.276
ALP-POS-75715966-5
0.276
RUT-UNI-630c5802-19
0.275
OLG-UNK-911c2067-1
0.275
RUT-UNI-630c5802-23
0.274
DAR-DIA-667e571f-3
0.274
DAR-DIA-667e571f-7
0.274
CHO-MSK-00c5269a-5
0.273
RUT-UNI-630c5802-21
0.272
RUT-UNI-630c5802-20
0.272
DAR-DIA-093892e4-4
0.270
PET-UNK-b75fdf9f-1
0.270
ALP-POS-c0c213c9-15
0.269
ALP-POS-75715966-1
0.269
LOR-NEU-c8f11034-5
0.268
DAR-DIA-2964957d-6
0.268
PET-UNK-1901c25b-2
0.267
MAR-LAB-ff9967db-38
0.267
WIL-UNI-2e73223c-3
0.266
RAL-THA-4a5dabff-3
0.265
ALP-POS-d2866bdf-1
0.265
RUT-UNI-630c5802-24
0.264
WIL-UNI-2e73223c-1
0.264
DAR-DIA-093892e4-2
0.264
RAL-THA-4a5dabff-4
0.263
AAR-POS-8a4e0f60-6
0.262
CHO-MSK-00c5269a-4
0.261
WIL-UNI-2e73223c-2
0.261
DAR-DIA-093892e4-10
0.261
MAR-LAB-ff9967db-4
0.261
DAR-DIA-667e571f-6
0.260
ALP-POS-c59291d4-4
0.260
AAR-POS-8a4e0f60-8
0.259
MAT-POS-06036648-3
0.259
DAR-DIA-667e571f-5
0.258
LOR-NOR-30067bb9-6
0.258
ALP-POS-c59291d4-1
0.257
ALP-POS-bad7201a-5
0.257
ALP-POS-bad7201a-14
0.257
DAR-DIA-093892e4-6
0.257