Molecular Properties | |
SMILES: | N[C@@H](C(=O)NCc1ccc(C(=O)Nc2cccnc2)cc1)C1CCOCC1 |
MW: | 368.18 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 106.34 |
cLogP: | 1.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-04c86cea-90
0.605
MAR-TRE-4b834d9a-57
0.598
MAR-TRE-7f7bb9f0-82
0.578
MAR-TRE-4b834d9a-67
0.545
MAR-TRE-4b834d9a-71
0.522
MAR-TRE-4b834d9a-24
0.522
MAR-TRE-f6f5f473-58
0.516
KEI-TRE-d5e2018a-36
0.477
KEI-TRE-d5e2018a-32
0.465
MAR-TRE-3e4e6814-34
0.465
MAR-TRE-f6f5f473-75
0.444
MAR-TRE-f6f5f473-79
0.440
MAR-TRE-04c86cea-65
0.421
MAR-TRE-f6f5f473-36
0.419
KEI-TRE-d5e2018a-71
0.396
KEI-TRE-d5e2018a-91
0.389
KEI-TRE-d5e2018a-100
0.389
KEI-TRE-d5e2018a-22
0.383
MAR-TRE-2fd8122f-58
0.382
MAR-TRE-2fd8122f-22
0.379
MAR-TRE-9c797165-58
0.378
KEI-TRE-d5e2018a-56
0.378
KEI-TRE-d5e2018a-90
0.373
MAR-TRE-f6f5f473-77
0.372
WIL-UNI-5578df48-17
0.370
MAR-TRE-3e4e6814-45
0.368
MAR-TRE-2fd8122f-7
0.368
KEI-TRE-d5e2018a-82
0.367
MAR-TRE-2fd8122f-31
0.365
MAR-TRE-2fd8122f-34
0.362
CHR-SOS-7098f804-12
0.361
MAR-TRE-2fd8122f-36
0.361
MAR-TRE-7f7bb9f0-81
0.358
MAK-UNK-c749d764-13
0.356
MAR-TRE-2fd8122f-89
0.354
ANT-DIA-3c79be55-5
0.352
KEI-TRE-d5e2018a-52
0.351
JOH-UNI-abdb2f0c-1
0.351
MAR-TRE-b77b7921-70
0.351
MAR-TRE-2fd8122f-82
0.347
MAR-TRE-2fd8122f-24
0.347
KEI-TRE-d5e2018a-83
0.347
SAD-SAT-135344c3-2
0.344
MAR-TRE-2fd8122f-65
0.344
MAK-UNK-a7b37c5e-1
0.341
MAR-TRE-67513f76-80
0.340
MED-UNK-e6e8ef8a-7
0.337
MED-UNK-e6e8ef8a-1
0.337
ANT-DIA-3c79be55-4
0.337
MAR-TRE-2fd8122f-15
0.337
MAK-UNK-009ebe36-4
0.337
MED-UNK-e6e8ef8a-2
0.333
MED-UNK-e6e8ef8a-3
0.333
MAK-UNK-10dfa458-31
0.333
MAR-TRE-9c797165-28
0.333
FRA-FAC-9ed5a63a-2
0.333
ASH-UNK-40b46b30-15
0.330
KEI-TRE-d5e2018a-53
0.330
MAR-TRE-3e4e6814-92
0.330
MAR-TRE-2fd8122f-69
0.330
MAR-TRE-7f7bb9f0-49
0.330
DAR-DIA-842b4336-10
0.329
MAR-TRE-9c797165-43
0.327
ZAC-WAB-d55a3c2e-2
0.327
ZAC-WAB-3baddbb3-1
0.327
ASH-UNK-40b46b30-13
0.326
MAR-TRE-67513f76-93
0.326
MAK-UNK-c749d764-17
0.326
AAR-POS-d2a4d1df-13
0.326
FRA-FAC-9ed5a63a-1
0.326
ALE-HEI-f28a35b5-9
0.326
SAD-SAT-24589cd1-4
0.325
MAR-TRE-2fd8122f-41
0.324
KEI-TRE-d5e2018a-10
0.323
KEI-TRE-d5e2018a-58
0.323
MAR-TRE-4b834d9a-43
0.323
MAR-TRE-2fd8122f-96
0.323
DAR-DIA-842b4336-11
0.322
DAR-DIA-842b4336-13
0.322
MAK-UNK-a7b37c5e-4
0.321
MAR-TRE-2fd8122f-35
0.321
MAR-TRE-67513f76-51
0.320
MAR-TRE-67513f76-89
0.320
MAK-UNK-c749d764-23
0.319
MAR-TRE-74c6519b-47
0.319
LON-WEI-120e5cf5-11
0.319
WIL-UNI-5578df48-15
0.319
MAK-UNK-a7b37c5e-5
0.318
ALE-HEI-f28a35b5-15
0.317
KEI-TRE-d5e2018a-61
0.317
MAR-TRE-2fd8122f-94
0.317
MAR-TRE-b77b7921-34
0.317
MAR-TRE-fd17a9b8-62
0.316
MAR-TRE-67513f76-81
0.316
MAK-UNK-c749d764-27
0.315
ALE-HEI-f28a35b5-8
0.314
KEI-TRE-d5e2018a-13
0.314
SAD-SAT-135344c3-1
0.314
KEI-TRE-d5e2018a-9
0.314
SAN-PRS-52b81272-2
0.313