Molecular Properties | |
SMILES: | O=C(Cc1ccc(F)cc1)NCCNC(=O)c1cncnc1 |
MW: | 302.12 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 83.98 |
cLogP: | 0.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
MAR-TRE-4f781e27-12
0.516
MAR-TRE-92684b97-78
0.484
MAR-TRE-92684b97-75
0.478
MAR-TRE-8190bb11-95
0.465
MAR-TRE-e82e6c98-76
0.441
MAR-TRE-92684b97-41
0.420
MAR-TRE-e82e6c98-50
0.417
MAR-TRE-be9ff7d2-37
0.403
MAR-TRE-c317dd82-63
0.400
MAR-TRE-f5c2d31c-24
0.398
MAR-TRE-e82e6c98-91
0.387
MAR-TRE-8190bb11-42
0.386
MAR-TRE-c317dd82-92
0.384
MAR-TRE-8190bb11-24
0.382
MAR-TRE-8190bb11-85
0.382
MAR-TRE-4f781e27-49
0.382
MAR-TRE-4f781e27-99
0.380
MAR-TRE-8190bb11-96
0.380
MAR-TRE-9d18ae8c-7
0.380
MAR-TRE-66ac689e-58
0.377
MAR-TRE-66ac689e-62
0.377
MAR-TRE-4f781e27-82
0.375
MAR-TRE-e82e6c98-51
0.375
MAR-TRE-66ac689e-85
0.373
MAK-UNK-a7b37c5e-5
0.373
MAR-TRE-92684b97-67
0.372
MAR-TRE-66ac689e-74
0.372
MAR-TRE-e82e6c98-47
0.371
MAR-TRE-e82e6c98-54
0.371
MAR-TRE-8190bb11-13
0.371
MAR-TRE-799db12b-84
0.370
MAR-TRE-92684b97-46
0.367
MAR-TRE-e82e6c98-26
0.366
MAR-TRE-c317dd82-35
0.365
MAR-TRE-be9ff7d2-19
0.365
MAR-TRE-92684b97-91
0.364
MAR-TRE-be9ff7d2-39
0.362
MAR-TRE-9d18ae8c-89
0.361
MAR-TRE-799db12b-35
0.361
MAR-TRE-be9ff7d2-41
0.361
MAR-TRE-4f781e27-84
0.361
MAR-TRE-be9ff7d2-40
0.360
MAR-TRE-799db12b-20
0.360
MAR-TRE-4f781e27-16
0.360
MAR-TRE-e82e6c98-95
0.359
MAR-TRE-799db12b-7
0.359
MAR-TRE-66ac689e-59
0.356
MAR-TRE-4f781e27-19
0.356
MAR-TRE-8190bb11-50
0.356
MAR-TRE-be9ff7d2-32
0.355
MAR-TRE-4f781e27-58
0.355
MAR-TRE-be9ff7d2-73
0.354
MAR-TRE-e82e6c98-92
0.354
MAR-TRE-be9ff7d2-90
0.352
MAR-TRE-92684b97-72
0.351
MAR-TRE-92684b97-88
0.351
MAR-TRE-e82e6c98-75
0.351
MAR-TRE-66ac689e-95
0.351
MAR-TRE-92684b97-11
0.351
MAR-TRE-e82e6c98-22
0.351
MAR-TRE-9d18ae8c-53
0.351
MAR-TRE-66ac689e-35
0.351
MAR-TRE-c317dd82-26
0.350
MAR-TRE-66ac689e-86
0.347
MAR-TRE-66ac689e-12
0.347
MAR-TRE-66ac689e-42
0.347
MAR-TRE-799db12b-66
0.347
MAR-TRE-8190bb11-69
0.347
MAR-TRE-66ac689e-21
0.346
MAR-TRE-8190bb11-86
0.346
MAR-TRE-8190bb11-30
0.346
MAR-TRE-4f781e27-23
0.346
MAR-TRE-8190bb11-76
0.346
MAR-TRE-be9ff7d2-67
0.343
MAR-TRE-e82e6c98-23
0.342
MAR-TRE-66ac689e-26
0.342
MAR-TRE-66ac689e-100
0.342
MAR-TRE-92684b97-15
0.342
MAR-TRE-e82e6c98-29
0.342
MAR-TRE-8190bb11-81
0.342
MAR-TRE-799db12b-52
0.342
MAR-TRE-4f781e27-65
0.342
MAR-TRE-4f781e27-81
0.342
MAR-TRE-92684b97-37
0.342
MAR-TRE-8190bb11-18
0.341
MAR-TRE-66ac689e-37
0.338
MAR-TRE-8190bb11-33
0.338
MAR-TRE-4f781e27-36
0.338
MAR-TRE-4f781e27-96
0.338
MAR-TRE-a9136c7b-100
0.338
MAR-TRE-799db12b-68
0.338
MAR-TRE-92684b97-66
0.333
MAR-TRE-c317dd82-70
0.333
MAR-TRE-a9136c7b-34
0.333
MAR-TRE-66ac689e-20
0.333
MAR-TRE-66ac689e-94
0.333
MAR-TRE-c317dd82-22
0.333
MAR-TRE-e82e6c98-77
0.333
MAR-TRE-8190bb11-36
0.333
MAR-TRE-8190bb11-39
0.333