Molecular Properties | |
SMILES: | O=C(NC[C@]1(COc2ccc(C(F)(F)F)cn2)C[C@H](O)[C@H](O)C1)Nc1cccnc1 |
MW: | 426.395 |
Fraction sp3: | 0.42 |
HBA: | 6 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 116.6 |
cLogP: | 2.1979 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
MolPort: | MolPort-047-149-271 |
Order Status | |
Ordered: | 2020-04-29 |
Synthesis Location: | molport |
Shipped: | 2020-06-01 |
Long aliphatic chain
ALE-HEI-f28a35b5-15
0.392
MAK-UNK-d1e89583-6
0.379
DAR-DIA-842b4336-2
0.378
WIL-UNI-5578df48-22
0.375
MAK-UNK-d1e89583-5
0.364
MAK-UNK-d1e89583-1
0.361
MED-UNK-e6e8ef8a-2
0.356
FRA-FAC-9ed5a63a-2
0.356
MED-UNK-e6e8ef8a-3
0.356
MAK-UNK-d1e89583-9
0.356
ALE-HEI-f28a35b5-8
0.353
SAD-SAT-689b7d5a-4
0.352
SAD-SAT-689b7d5a-9
0.348
WIL-UNI-5578df48-21
0.345
FRA-FAC-9ed5a63a-3
0.345
MAK-UNK-d1e89583-3
0.344
MAR-TRE-67513f76-81
0.342
DAR-DIA-842b4336-4
0.341
WAR-XCH-eb7b662f-6
0.341
DAR-DIA-842b4336-3
0.341
BAR-COM-5694a99d-2
0.340
AAR-POS-d2a4d1df-11
0.338
MAK-UNK-d1e89583-8
0.337
FRA-FAC-9ed5a63a-1
0.333
ALE-HEI-f28a35b5-9
0.333
AAR-POS-d2a4d1df-13
0.333
JOH-IMS-62aeb97d-5
0.333
SAD-SAT-689b7d5a-5
0.333
BAR-COM-21d20d65-2
0.330
SAD-SAT-135344c3-3
0.330
MAR-TRE-7f7bb9f0-33
0.330
SAD-SAT-689b7d5a-3
0.330
MED-UNK-e6e8ef8a-6
0.330
MAR-TRE-74c6519b-63
0.327
MAR-TRE-04c86cea-81
0.326
SAD-SAT-689b7d5a-8
0.326
SAD-SAT-135344c3-2
0.323
MAR-TRE-3e4e6814-82
0.323
MAK-UNK-d1e89583-4
0.322
MAK-UNK-d1e89583-7
0.322
DAR-DIA-842b4336-1
0.321
MAK-UNK-51bb34f9-3
0.321
SAD-SAT-135344c3-1
0.320
SAD-SAT-135344c3-9
0.320
WIL-UNI-5578df48-30
0.320
WIL-UNI-5578df48-17
0.320
WIL-UNI-5578df48-19
0.319
MAR-TRE-9c797165-52
0.319
ALE-HEI-f28a35b5-4
0.318
WAR-XCH-eb7b662f-3
0.318
WIL-UNI-5578df48-31
0.317
MAK-UNK-009ebe36-4
0.317
MAK-UNK-009ebe36-5
0.317
MAK-UNK-ca11b4f7-1
0.316
TRY-UNI-bbd40bb4-4
0.316
MAR-TRE-74c6519b-17
0.316
CHR-SOS-70e4c98a-3
0.316
CHR-SOS-70e4c98a-6
0.315
MED-UNK-e6e8ef8a-5
0.315
DAR-DIA-842b4336-11
0.315
DAR-DIA-842b4336-7
0.315
WAR-XCH-eb7b662f-4
0.315
DAR-DIA-23aa0b97-15
0.314
MAR-TRE-2fd8122f-27
0.314
MAR-TRE-2fd8122f-54
0.313
BAR-COM-21d20d65-4
0.313
BAR-COM-5694a99d-3
0.313
MAR-TRE-3e4e6814-62
0.312
MAR-TRE-7f7bb9f0-46
0.312
CHR-SOS-59746812-2
0.312
WIL-UNI-5578df48-15
0.312
CHR-SOS-f7373dd1-4
0.312
WAR-XCH-eb7b662f-5
0.311
AUS-ARG-7cfdce8f-11
0.310
WAR-XCH-eb7b662f-7
0.310
DAR-DIA-23aa0b97-14
0.310
JOR-UNI-2fc98d0b-7
0.310
JAN-GHE-83b26c96-19
0.310
ANN-UNI-26382800-3
0.310
JOH-UNK-14e6adc5-2
0.310
CHR-SOS-59746812-3
0.310
BAR-COM-21d20d65-5
0.310
BAR-COM-5694a99d-1
0.310
ALE-HEI-f28a35b5-14
0.310
CHR-SOS-f7373dd1-6
0.309
CHR-SOS-70e4c98a-1
0.309
JIA-UNI-12b1f9ae-1
0.309
CHR-SOS-59746812-6
0.309
CHR-SOS-70e4c98a-8
0.309
MAR-TRE-7f7bb9f0-49
0.308
CHR-SOS-f7373dd1-5
0.308
MAR-TRE-9c797165-38
0.307
CHR-SOS-70e4c98a-5
0.307
CHR-SOS-59746812-4
0.307
PET-SGC-59809fea-1
0.306
KEI-TRE-d5e2018a-14
0.306
MAK-UNK-10dfa458-16
0.306
MAK-UNK-129dcd6f-12
0.306
SAN-PRS-52b81272-3
0.306
ADA-UNI-f8e79267-6
0.305