Molecular Properties | |
SMILES: | O=C(Nc1cccc(N2CCCNC2=O)c1)c1cncnc1 |
MW: | 297.12 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 87.22 |
cLogP: | 1.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-a9136c7b-42
0.595
MAK-UNK-c8c8f7e2-14
0.479
MAK-UNK-7a704a63-2
0.479
MAR-TRE-799db12b-99
0.476
MAR-TRE-66ac689e-31
0.439
MAR-TRE-799db12b-36
0.430
MAR-TRE-799db12b-25
0.424
MAR-TRE-799db12b-40
0.424
MAR-TRE-66ac689e-76
0.422
MAR-TRE-9d18ae8c-2
0.420
MAR-TRE-799db12b-69
0.419
MAR-TRE-799db12b-34
0.412
MAR-TRE-9d18ae8c-65
0.409
MAR-TRE-66ac689e-25
0.400
MAK-UNK-1e8f9e3c-5
0.398
MAK-UNK-1e8f9e3c-3
0.398
MAR-TRE-66ac689e-8
0.398
MAR-TRE-92684b97-55
0.398
MAK-UNK-1e8f9e3c-2
0.396
MAR-TRE-799db12b-49
0.393
MAK-UNK-1e8f9e3c-1
0.393
MAK-UNK-9159f8ed-6
0.393
MAK-UNK-10dfa458-25
0.391
MAK-UNK-6435e6c2-4
0.387
MAR-TRE-799db12b-39
0.386
MAK-UNK-c8c8f7e2-16
0.385
LON-WEI-b2874fec-9
0.385
MAR-TRE-66ac689e-10
0.382
MAK-UNK-c8c8f7e2-15
0.382
MAK-UNK-7a704a63-8
0.382
MAK-UNK-10dfa458-3
0.380
MAR-TRE-799db12b-43
0.379
MAR-TRE-4f781e27-47
0.379
MAR-TRE-66ac689e-40
0.372
MAK-UNK-c8c8f7e2-17
0.370
MAR-TRE-be9ff7d2-46
0.368
MAR-TRE-8190bb11-4
0.368
MAR-TRE-9d18ae8c-18
0.368
MAR-TRE-799db12b-2
0.368
MAR-TRE-66ac689e-54
0.367
MAK-UNK-c8c8f7e2-18
0.366
MAK-UNK-1e8f9e3c-4
0.366
MAR-TRE-799db12b-86
0.364
MAR-TRE-4f781e27-2
0.364
MAK-UNK-c8c8f7e2-30
0.364
MAK-UNK-7a704a63-10
0.362
LON-WEI-8f408cad-1
0.362
AAR-POS-0daf6b7e-11
0.362
MAK-UNK-7a704a63-9
0.362
MAK-UNK-10dfa458-22
0.362
SAD-SAT-24589cd1-2
0.361
MAR-TRE-9d18ae8c-9
0.360
MAR-TRE-9d18ae8c-15
0.358
MAR-TRE-9d18ae8c-58
0.357
MAR-TRE-799db12b-37
0.356
MAK-UNK-c8c8f7e2-42
0.354
MAR-TRE-799db12b-14
0.352
MAR-TRE-4f781e27-43
0.349
MAR-TRE-799db12b-45
0.348
MAR-TRE-9d18ae8c-7
0.344
MAK-UNK-7a704a63-3
0.342
MAK-UNK-c8c8f7e2-13
0.342
MAR-TRE-8190bb11-65
0.341
MAR-TRE-66ac689e-51
0.341
MAR-TRE-9d18ae8c-11
0.341
MAR-TRE-9d18ae8c-77
0.341
MAR-TRE-2fd8122f-39
0.341
MAR-TRE-9d18ae8c-54
0.337
RAL-MED-2de63afb-4
0.337
MAR-TRE-9d18ae8c-34
0.337
MAR-TRE-c317dd82-16
0.333
MAR-TRE-4f781e27-98
0.333
MAR-TRE-92684b97-89
0.333
MAR-TRE-9d18ae8c-10
0.333
MAR-TRE-e82e6c98-24
0.333
MAR-TRE-a9136c7b-11
0.330
BAR-COM-0f94fc3d-53
0.330
MAR-TRE-9d18ae8c-16
0.330
MAR-TRE-8190bb11-7
0.330
MAR-TRE-66ac689e-72
0.329
MAR-TRE-c317dd82-45
0.327
MAR-TRE-799db12b-17
0.326
MAK-UNK-c8c8f7e2-43
0.325
MAR-TRE-799db12b-4
0.323
MAR-TRE-799db12b-1
0.323
MAR-TRE-c317dd82-23
0.323
MAR-TRE-92684b97-6
0.323
MAR-TRE-9d18ae8c-82
0.323
MAR-TRE-799db12b-33
0.322
MAR-TRE-66ac689e-24
0.322
MAR-TRE-799db12b-24
0.322
MAR-TRE-799db12b-3
0.322
MAR-TRE-66ac689e-2
0.322
MAR-TRE-66ac689e-37
0.322
MAR-TRE-9d18ae8c-29
0.322
MAR-TRE-c317dd82-59
0.319
MAR-TRE-8190bb11-90
0.319
MAR-TRE-9d18ae8c-53
0.318
MAR-TRE-799db12b-74
0.318
MAR-TRE-799db12b-76
0.316