Molecular Properties | |
SMILES: | O=C(NC[C@H](O)c1ccoc1)C(=O)Nc1cccnc1 |
MW: | 275.09 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 104.46 |
cLogP: | 0.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
alpha_dicarbonyl
diketo group
α-Diketones
Filter41_12_dicarbonyl
1,2-dicarbonyl not in ring
Long aliphatic chain
Oxalyl
MAR-TRE-9c797165-26
0.687
MAR-TRE-3e4e6814-56
0.562
MAR-TRE-b77b7921-88
0.500
MAR-TRE-4b834d9a-73
0.457
MAR-TRE-d0525fbf-97
0.452
MAR-TRE-b77b7921-34
0.429
MAK-UNK-ca11b4f7-3
0.419
MAR-TRE-7f7bb9f0-33
0.407
WIL-UNI-1faa9b10-8
0.402
MAR-TRE-04c86cea-76
0.395
MAK-UNK-ca11b4f7-1
0.391
MAR-TRE-67513f76-81
0.381
JOH-IMS-62aeb97d-5
0.369
MAR-TRE-2fd8122f-60
0.358
ALE-HEI-f28a35b5-15
0.357
JOH-IMS-62aeb97d-4
0.356
AUS-ARG-7cfdce8f-11
0.356
ALE-HEI-f28a35b5-16
0.356
MAK-UNK-ca11b4f7-2
0.354
SAN-PRS-52b81272-2
0.352
MAR-TRE-7f7bb9f0-49
0.351
SAD-SAT-689b7d5a-4
0.350
FRA-FAC-9ed5a63a-1
0.347
JOH-IMS-62aeb97d-2
0.347
JOH-IMS-62aeb97d-3
0.347
AAR-POS-d2a4d1df-13
0.347
ALE-HEI-f28a35b5-9
0.347
MAR-TRE-67513f76-93
0.346
MAR-TRE-9c797165-52
0.346
MAR-TRE-67513f76-87
0.346
MAR-TRE-2fd8122f-90
0.345
MAR-TRE-2fd8122f-27
0.342
MAK-UNK-d1e89583-1
0.342
MED-UNK-e6e8ef8a-1
0.342
MED-UNK-e6e8ef8a-7
0.342
MAR-TRE-d0525fbf-64
0.341
ALE-HEI-f28a35b5-14
0.338
MAK-UNK-a7b37c5e-5
0.338
SAD-SAT-2fd372d1-7
0.338
MAR-TRE-9c797165-46
0.338
MAR-TRE-74c6519b-47
0.338
ANN-UNI-26382800-5
0.338
MAR-TRE-67513f76-73
0.338
MAR-TRE-67513f76-92
0.337
WIL-UNI-1faa9b10-52
0.337
MAR-TRE-9c797165-8
0.333
MAR-TRE-9c797165-57
0.333
DAR-DIA-842b4336-9
0.333
ISA-SCH-8e98219b-1
0.333
AAR-POS-d2a4d1df-11
0.333
MAR-TRE-9c797165-80
0.329
MAK-UNK-a7b37c5e-1
0.329
MAK-UNK-d1e89583-2
0.329
SAD-SAT-24589cd1-4
0.329
WAR-XCH-eb7b662f-3
0.329
MAK-UNK-009ebe36-8
0.326
MAR-TRE-7f7bb9f0-68
0.326
ADA-UNI-f8e79267-4
0.325
PET-SGC-b0f8bd49-1
0.325
PET-SGC-d0156db4-1
0.325
BEN-DND-362d364a-12
0.325
DRE-WAB-ae4a693c-1
0.325
ANT-DIA-3c79be55-5
0.325
MAR-TRE-d0525fbf-91
0.325
FRA-FAC-9ed5a63a-4
0.325
ANT-DIA-3c79be55-4
0.325
MAR-TRE-2fd8122f-78
0.325
EDG-MED-0da5ad92-2
0.325
DAR-DIA-842b4336-7
0.325
DAR-DIA-842b4336-8
0.325
DAR-DIA-842b4336-11
0.325
DAR-DIA-842b4336-12
0.325
DAR-DIA-842b4336-13
0.325
MAK-UNK-a7b37c5e-4
0.324
DAR-DIA-842b4336-2
0.324
MAR-TRE-4b834d9a-49
0.322
MAR-TRE-b77b7921-91
0.321
MAR-TRE-2fd8122f-37
0.321
WIL-UNI-5578df48-3
0.321
MAR-TRE-3e4e6814-93
0.321
DAR-DIA-842b4336-15
0.321
CHR-SOS-59746812-2
0.321
MAK-UNK-d1e89583-9
0.321
FRA-FAC-9ed5a63a-2
0.321
MAK-UNK-a7b37c5e-2
0.321
MED-UNK-e6e8ef8a-2
0.321
DAR-DIA-842b4336-16
0.321
MED-UNK-e6e8ef8a-3
0.321
DAR-DIA-842b4336-4
0.320
JOH-UNK-14e6adc5-2
0.320
ANN-UNI-26382800-3
0.320
WIL-UNI-5578df48-2
0.319
SAD-SAT-689b7d5a-6
0.318
MAR-TRE-2fd8122f-69
0.317
ADA-UNI-f8e79267-5
0.317
CHA-MCP-85291e1d-2
0.317
CHR-SOS-59746812-6
0.317
MAK-UNK-d1e89583-8
0.317
CHR-SOS-f7373dd1-5
0.316
MAR-TRE-7f7bb9f0-74
0.316