Molecular Properties | |
SMILES: | Cc1ccc(N(Cc2ccco2)C(=O)Cn2nnc3ccccc3c2=O)cc1 |
MW: | 374.14 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 81.23 |
cLogP: | 2.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-26 |
Filter82_pyridinium
UNK-UNK-2ede4078-19
0.475
UNK-UNK-2ede4078-36
0.412
UNK-UNK-2ede4078-49
0.411
CHO-MSK-00c5269a-1
0.392
MAR-LAB-ff9967db-3
0.353
ALP-POS-6d04362c-1
0.350
DAR-DIA-093892e4-7
0.337
ALP-POS-87c86d55-1
0.333
ALP-POS-6d04362c-5
0.333
ALP-POS-d2866bdf-1
0.321
PET-UNK-1901c25b-3
0.321
PET-UNK-7374c256-2
0.321
MAD-UNK-b1ea4171-1
0.318
MAD-UNK-84a4f939-1
0.318
DAR-DIA-093892e4-5
0.318
MIC-UNK-bcd487e9-5
0.315
ALP-POS-c59291d4-4
0.315
ALP-POS-bad7201a-15
0.315
CHO-MSK-00c5269a-3
0.315
ALP-POS-6d04362c-2
0.315
RUT-UNI-630c5802-13
0.314
MAR-LAB-ff9967db-19
0.313
ALP-POS-c59291d4-1
0.312
ALP-POS-bad7201a-14
0.312
ALP-POS-bad7201a-4
0.311
ALP-POS-6d04362c-4
0.307
RUT-UNI-630c5802-24
0.306
ALP-POS-c0c213c9-6
0.306
ALP-POS-c0c213c9-18
0.306
RUT-UNI-630c5802-26
0.306
PET-UNK-b75fdf9f-1
0.302
CHO-MSK-00c5269a-4
0.302
ALP-POS-bad7201a-5
0.300
DAR-DIA-093892e4-3
0.298
DAR-DIA-093892e4-6
0.298
RAL-THA-4a5dabff-1
0.298
PET-UNK-1901c25b-2
0.297
ALP-POS-87c86d55-2
0.296
DAR-DIA-093892e4-9
0.296
DAR-DIA-093892e4-1
0.296
CHO-MSK-00c5269a-2
0.295
OLG-UNK-911c2067-1
0.294
DAR-DIA-093892e4-2
0.293
MAT-POS-b5746674-34
0.292
LON-WEI-5e7d1b3e-50
0.292
LON-WEI-4d77710c-50
0.292
DAR-DIA-093892e4-10
0.291
DAR-DIA-093892e4-8
0.291
MAR-LAB-ff9967db-27
0.290
RUT-UNI-630c5802-27
0.289
DAR-DIA-093892e4-12
0.289
DAR-DIA-093892e4-4
0.288
ROB-IMP-e811baff-1
0.287
RAL-THA-4a5dabff-2
0.286
ALP-POS-c59291d4-2
0.284
ALP-POS-7c842ab8-1
0.284
ALP-POS-c3a96089-1
0.284
RUT-UNI-630c5802-5
0.283
ALP-POS-75715966-5
0.283
DAR-DIA-093892e4-11
0.283
PET-UNK-b75fdf9f-3
0.282
WIL-UNI-2e73223c-2
0.280
MAR-TRE-74c6519b-92
0.279
ALP-POS-bad7201a-9
0.279
ALP-POS-c0c213c9-15
0.277
LON-WEI-4d77710c-59
0.276
MAT-POS-b5746674-37
0.276
LON-WEI-5e7d1b3e-59
0.276
RUT-UNI-630c5802-1
0.275
ALP-POS-6d04362c-3
0.274
ALP-POS-25b4df59-1
0.273
ALP-POS-25b4df59-2
0.273
MAT-POS-06036648-5
0.273
MAT-POS-ffe83904-1
0.272
UNK-UNK-2ede4078-81
0.271
UNK-UNK-2ede4078-7
0.270
CHO-MSK-00c5269a-5
0.269
RUT-UNI-630c5802-9
0.268
MAR-TRE-74c6519b-40
0.267
MAR-TRE-7f7bb9f0-85
0.267
MAR-TRE-7f7bb9f0-17
0.267
ALP-POS-c59291d4-3
0.267
ALP-POS-c0c213c9-1
0.266
MAT-POS-06036648-1
0.266
MAT-POS-b5746674-38
0.265
LON-WEI-5e7d1b3e-57
0.265
LON-WEI-4d77710c-57
0.265
UNK-UNK-2ede4078-14
0.265
ALP-POS-c0c213c9-13
0.264
ALP-POS-c0c213c9-3
0.263
MAR-TRE-4b834d9a-29
0.263
RAL-THA-4a5dabff-3
0.261
MAT-POS-b5746674-35
0.261
MAR-LAB-ca4662a6-7
0.260
UNK-UNK-2ede4078-8
0.258
RAL-THA-4a5dabff-8
0.258
MAR-LAB-ff9967db-4
0.258
UNK-UNK-2ede4078-94
0.255
ALP-POS-75715966-1
0.254
EDJ-MED-06d94977-1
0.252