Molecular Properties | |
SMILES: | O=C(NCc1cccc(N2CCCC2=O)c1)c1cncnc1 |
MW: | 296.13 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 75.19 |
cLogP: | 1.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-65
0.881
MAR-TRE-66ac689e-54
0.667
MAR-TRE-799db12b-49
0.518
MAK-UNK-c8c8f7e2-20
0.507
MAR-TRE-799db12b-14
0.488
MAR-TRE-66ac689e-21
0.487
MAR-TRE-9d18ae8c-6
0.487
MAR-TRE-799db12b-44
0.475
MAR-TRE-799db12b-16
0.469
MAR-TRE-799db12b-4
0.466
MAR-TRE-66ac689e-37
0.463
MAR-TRE-66ac689e-73
0.463
MAR-TRE-2fd8122f-39
0.459
MAR-TRE-8190bb11-34
0.458
MAR-TRE-9d18ae8c-46
0.458
MAR-TRE-9d18ae8c-54
0.458
MAR-TRE-92684b97-81
0.457
MAR-TRE-9d18ae8c-53
0.457
MAR-TRE-9d18ae8c-34
0.453
MAR-TRE-9d18ae8c-30
0.452
MAR-TRE-66ac689e-33
0.452
MAR-TRE-8190bb11-80
0.452
MAR-TRE-9d18ae8c-36
0.452
MAR-TRE-799db12b-27
0.451
MAR-TRE-92684b97-82
0.451
MAR-TRE-799db12b-9
0.451
MAR-TRE-66ac689e-1
0.447
MAR-TRE-66ac689e-29
0.446
MAR-TRE-799db12b-76
0.443
MAR-TRE-9d18ae8c-16
0.443
MAR-TRE-799db12b-51
0.442
MAR-TRE-8190bb11-8
0.442
MAR-TRE-9d18ae8c-43
0.442
MAR-TRE-799db12b-2
0.440
MAR-TRE-799db12b-3
0.440
MAR-TRE-799db12b-24
0.440
MAR-TRE-799db12b-33
0.440
MAR-TRE-9d18ae8c-18
0.440
MAR-TRE-a9136c7b-11
0.440
MAR-TRE-4f781e27-92
0.439
MAR-TRE-799db12b-18
0.438
MAR-TRE-799db12b-97
0.437
MAR-TRE-4f781e27-2
0.435
MAR-TRE-9d18ae8c-52
0.435
MAR-TRE-9d18ae8c-49
0.432
MAR-TRE-9d18ae8c-7
0.430
MAR-TRE-8190bb11-31
0.425
MAR-TRE-9d18ae8c-11
0.425
MAR-TRE-92684b97-11
0.425
MAR-TRE-66ac689e-20
0.422
MAR-TRE-8190bb11-85
0.421
MAR-TRE-92684b97-6
0.420
MAR-TRE-66ac689e-12
0.420
MAR-TRE-a9136c7b-57
0.419
MAR-TRE-8190bb11-86
0.417
MAR-TRE-9d18ae8c-10
0.416
MAR-TRE-66ac689e-26
0.415
MAK-UNK-6435e6c2-4
0.413
MAR-TRE-4f781e27-88
0.412
LON-WEI-8f408cad-1
0.405
AAR-POS-0daf6b7e-11
0.405
MAK-UNK-7a704a63-10
0.405
MAR-TRE-be9ff7d2-17
0.402
MAR-TRE-799db12b-72
0.402
MAR-TRE-e82e6c98-25
0.402
MAR-TRE-a9136c7b-31
0.402
MAR-TRE-799db12b-52
0.395
MAK-UNK-c8c8f7e2-17
0.395
MAR-TRE-92684b97-78
0.395
MAK-UNK-c8c8f7e2-18
0.390
MAK-UNK-7a704a63-8
0.390
MAK-UNK-c8c8f7e2-15
0.390
MAK-UNK-7a704a63-9
0.388
MAK-UNK-10dfa458-3
0.388
MAR-TRE-66ac689e-47
0.386
MAR-TRE-8190bb11-24
0.385
AAR-UNI-c25c2f1e-61
0.383
MAK-UNK-c8c8f7e2-6
0.383
MAR-TRE-4f781e27-99
0.383
MAR-TRE-9d18ae8c-89
0.383
MAR-TRE-a9136c7b-4
0.381
MAR-TRE-8190bb11-13
0.375
MAK-UNK-c8c8f7e2-16
0.375
MAR-TRE-a9136c7b-14
0.374
MAK-UNK-1e8f9e3c-5
0.374
MAK-UNK-1e8f9e3c-3
0.374
MAR-TRE-c317dd82-55
0.373
MAK-UNK-c8c8f7e2-1
0.372
MAR-TRE-4f781e27-48
0.371
MAK-UNK-10dfa458-22
0.370
MAR-TRE-8190bb11-42
0.370
MAR-TRE-be9ff7d2-67
0.368
MAR-TRE-e82e6c98-93
0.368
MAK-UNK-7a704a63-11
0.367
MAK-UNK-c8c8f7e2-3
0.367
MAK-UNK-c8c8f7e2-2
0.367
MAK-UNK-c8c8f7e2-4
0.367
MAR-TRE-799db12b-35
0.366
MAR-TRE-9d18ae8c-58
0.365
MAR-TRE-e82e6c98-12
0.365