Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)c1cnc(C2CCOCC2)[nH]c1=O |
MW: | 300.12 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 96.97 |
cLogP: | 1.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z3292353166 |
MAR-TRE-2fd8122f-36
0.537
KEI-TRE-d5e2018a-61
0.380
MAR-TRE-2fd8122f-38
0.378
MAR-TRE-c8530538-21
0.376
CHR-SOS-7098f804-11
0.375
KEI-TRE-d5e2018a-52
0.374
KEI-TRE-d5e2018a-10
0.374
MAR-TRE-2fd8122f-55
0.371
MAR-TRE-4b834d9a-92
0.368
JOH-UNI-abdb2f0c-2
0.367
JOH-IMS-62aeb97d-3
0.367
MAR-TRE-2fd8122f-81
0.366
CHR-SOS-7098f804-14
0.365
MAR-TRE-c8530538-41
0.365
MAR-TRE-2fd8122f-27
0.364
MAR-TRE-d0525fbf-77
0.364
MAR-TRE-2fd8122f-89
0.363
MAR-TRE-67513f76-81
0.362
KEI-TRE-d5e2018a-9
0.362
KEI-TRE-d5e2018a-13
0.362
MAR-TRE-2fd8122f-18
0.360
MAR-TRE-7f7bb9f0-82
0.359
TRY-UNI-bbd40bb4-3
0.355
MAR-TRE-c8530538-49
0.352
MAR-TRE-3e4e6814-92
0.351
KEI-TRE-d5e2018a-53
0.351
MAR-TRE-3e4e6814-34
0.348
KEI-TRE-d5e2018a-32
0.348
MAR-TRE-2fd8122f-21
0.348
MAR-TRE-04c86cea-53
0.347
ANT-DIA-3c79be55-5
0.345
NAU-LAT-445f63e5-6
0.344
MAR-TRE-2fd8122f-72
0.344
MAR-TRE-4b834d9a-57
0.344
JOH-UNI-abdb2f0c-1
0.344
MAR-TRE-2fd8122f-15
0.344
MAR-TRE-2fd8122f-31
0.344
KEI-TRE-d5e2018a-44
0.341
CHR-SOS-7098f804-13
0.341
CHR-SOS-7098f804-15
0.341
MAR-TRE-f6f5f473-36
0.340
ALE-HEI-f28a35b5-8
0.338
MAR-TRE-04c86cea-46
0.337
SAD-SAT-24589cd1-4
0.333
ASH-UNK-40b46b30-13
0.333
MAR-TRE-2fd8122f-73
0.333
KEI-TRE-d5e2018a-22
0.333
KEI-TRE-d5e2018a-36
0.333
MAR-TRE-9c797165-80
0.333
CHR-SOS-7098f804-16
0.330
MAR-TRE-2fd8122f-13
0.330
FRA-FAC-9ed5a63a-4
0.329
FRA-FAC-9ed5a63a-3
0.329
MED-UNK-e6e8ef8a-1
0.329
MED-UNK-e6e8ef8a-7
0.329
DAR-DIA-842b4336-5
0.329
MAR-TRE-d0525fbf-54
0.327
MAR-TRE-04c86cea-35
0.326
MAR-TRE-67513f76-51
0.326
MAR-TRE-2fd8122f-44
0.326
JAN-GHE-4287bd1a-9
0.325
MED-UNK-e6e8ef8a-2
0.325
MED-UNK-e6e8ef8a-3
0.325
FRA-FAC-9ed5a63a-2
0.325
MAK-UNK-a7b37c5e-5
0.325
JOH-IMS-62aeb97d-4
0.325
DAR-DIA-842b4336-3
0.325
ASH-UNK-40b46b30-15
0.324
MAR-TRE-04c86cea-49
0.323
MAR-TRE-2fd8122f-28
0.323
MAR-TRE-7f7bb9f0-81
0.323
DAR-DIA-842b4336-9
0.321
DAR-DIA-842b4336-10
0.321
CHR-SOS-7098f804-12
0.321
DAR-DIA-842b4336-1
0.321
SAN-PRS-52b81272-2
0.321
AAR-POS-d2a4d1df-11
0.320
MAK-UNK-ca11b4f7-2
0.319
MAK-UNK-ca11b4f7-3
0.319
ZAC-WAB-d55a3c2e-2
0.319
ZAC-WAB-3baddbb3-1
0.319
MAR-TRE-d0525fbf-90
0.318
DAR-DIA-842b4336-14
0.318
MED-UNK-e6e8ef8a-4
0.318
KEI-TRE-d5e2018a-90
0.317
AAR-POS-d2a4d1df-13
0.317
ALE-HEI-f28a35b5-9
0.317
FRA-FAC-9ed5a63a-1
0.317
JOH-IMS-62aeb97d-1
0.317
MAK-UNK-009ebe36-4
0.316
MAR-TRE-2fd8122f-8
0.316
MAR-TRE-2fd8122f-22
0.316
MAR-TRE-2fd8122f-96
0.316
MAR-TRE-04c86cea-17
0.316
MAR-TRE-2fd8122f-68
0.315
TRY-UNI-bbd40bb4-4
0.315
MAR-TRE-b77b7921-85
0.315
MAK-UNK-ca11b4f7-1
0.315
JOH-IMS-62aeb97d-5
0.315
ANT-DIA-3c79be55-4
0.314