Molecular Properties | |
SMILES: | Cn1c(=O)c2ccn(CC(=O)Nc3cccnc3)c2n(C)c1=O |
MW: | 313.12 |
Fraction sp3: | 0.2 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 90.92 |
cLogP: | 0.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4792107251 |
MolPort: | MolPort-010-869-066 |
Filter82_pyridinium
MAR-TRE-9c797165-60
0.526
MAR-TRE-4b834d9a-31
0.450
MAR-TRE-67513f76-55
0.446
MAR-TRE-2fd8122f-62
0.437
MAR-TRE-3e4e6814-65
0.435
MAR-TRE-b77b7921-52
0.435
KEI-TRE-d5e2018a-74
0.434
MAR-TRE-7f7bb9f0-50
0.433
MAR-TRE-3e4e6814-66
0.430
JOH-IMS-62aeb97d-5
0.424
DUN-NEW-f8ce3686-4
0.419
MAR-TRE-67513f76-73
0.418
MAR-TRE-2fd8122f-68
0.417
MAR-TRE-67513f76-81
0.415
MAR-TRE-b77b7921-91
0.415
DAR-DIA-842b4336-11
0.408
MAK-UNK-ca11b4f7-1
0.403
DUN-NEW-f8ce3686-8
0.402
MAR-TRE-d0525fbf-33
0.396
MAR-TRE-4b834d9a-96
0.391
MAR-TRE-9c797165-52
0.390
MAR-TRE-4b834d9a-97
0.389
KEI-TRE-d5e2018a-67
0.389
MAR-TRE-2fd8122f-78
0.388
MAR-TRE-3e4e6814-61
0.386
MAR-TRE-f6f5f473-46
0.386
MAR-TRE-d0525fbf-64
0.384
MAR-TRE-c317dd82-59
0.379
MAK-UNK-c749d764-17
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MAK-UNK-a7b37c5e-1
0.377
MAR-TRE-2fd8122f-63
0.376
MAR-TRE-2fd8122f-100
0.375
KEI-TRE-d5e2018a-45
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MED-UNK-e6e8ef8a-6
0.372
DAR-DIA-842b4336-12
0.372
MAR-TRE-2fd8122f-43
0.371
MAR-TRE-2fd8122f-49
0.371
ALE-HEI-f28a35b5-14
0.370
MAR-TRE-67513f76-13
0.369
MAR-TRE-74c6519b-55
0.369
NAU-LAT-64f4b287-10
0.369
MAR-TRE-9c797165-95
0.368
MAK-UNK-ca11b4f7-2
0.368
MAR-TRE-fd17a9b8-39
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MAR-TRE-9c797165-87
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MAR-TRE-4b834d9a-82
0.366
SAN-PRS-52b81272-2
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MAR-TRE-9c797165-94
0.365
DAR-DIA-842b4336-10
0.364
MAR-TRE-2fd8122f-54
0.364
MAK-UNK-c749d764-27
0.362
MAR-TRE-7f7bb9f0-76
0.362
MAR-TRE-3e4e6814-50
0.361
SAD-SAT-24589cd1-4
0.360
KEI-TRE-d5e2018a-68
0.360
ALE-HEI-f28a35b5-9
0.359
FRA-FAC-9ed5a63a-1
0.359
AAR-POS-d2a4d1df-13
0.359
MAR-TRE-2fd8122f-30
0.359
KEI-TRE-d5e2018a-26
0.359
MAK-UNK-c749d764-13
0.357
MAK-UNK-c749d764-14
0.357
MAR-TRE-74c6519b-58
0.356
MAR-TRE-4b834d9a-45
0.356
KEI-TRE-d5e2018a-37
0.356
MAR-TRE-2fd8122f-91
0.356
MAK-UNK-d1e89583-1
0.355
MAK-UNK-a7b37c5e-4
0.355
MAR-TRE-2fd8122f-80
0.355
ALE-HEI-f28a35b5-5
0.354
DAR-DIA-842b4336-13
0.354
EDG-MED-0da5ad92-2
0.354
MAR-TRE-7f7bb9f0-30
0.354
CHR-SOS-f7373dd1-2
0.354
MAR-TRE-2fd8122f-72
0.352
MAR-TRE-3e4e6814-100
0.352
MAR-TRE-7f7bb9f0-53
0.351
MAR-TRE-2fd8122f-93
0.351
AUS-ARG-7cfdce8f-11
0.351
MAK-UNK-a7b37c5e-5
0.351
DAR-DIA-842b4336-16
0.350
MED-UNK-e6e8ef8a-3
0.350
MAK-UNK-a7b37c5e-2
0.350
KAL-WAB-eb347ebe-1
0.349
MAR-TRE-74c6519b-54
0.349
MAR-TRE-04c86cea-81
0.349
MAR-TRE-2fd8122f-37
0.349
MAR-TRE-67513f76-92
0.348
MAK-UNK-ca11b4f7-3
0.348
BEN-DND-362d364a-10
0.347
DUN-NEW-f8ce3686-9
0.347
KEI-TRE-d5e2018a-60
0.347
CHR-SOS-f7373dd1-5
0.346
MAR-TRE-7f7bb9f0-49
0.346
MAR-TRE-9c797165-57
0.344
MAR-TRE-7f7bb9f0-12
0.344
MAR-TRE-7f7bb9f0-72
0.344
BEN-DND-362d364a-11
0.344
MAR-TRE-4b834d9a-63
0.344
TAM-UNI-c140e31a-13
0.344