Molecular Properties | |
SMILES: | O=C(NCC1CCCN(c2nccn3cnnc23)C1)c1cncnc1 |
MW: | 338.16 |
Fraction sp3: | 0.38 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 101.2 |
cLogP: | 0.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-95
0.398
MAR-TRE-e82e6c98-25
0.365
MAR-TRE-be9ff7d2-14
0.347
MAR-TRE-799db12b-52
0.343
MAR-TRE-c317dd82-6
0.337
MAR-TRE-e82e6c98-8
0.333
MAR-TRE-799db12b-89
0.333
MAR-TRE-c317dd82-5
0.330
MAR-TRE-c317dd82-29
0.327
MAR-TRE-8190bb11-2
0.324
MAR-TRE-e82e6c98-24
0.324
MAR-TRE-e82e6c98-93
0.320
MAR-TRE-a9136c7b-83
0.318
MAR-TRE-4f781e27-65
0.317
MAR-TRE-66ac689e-26
0.316
MAR-TRE-e82e6c98-21
0.315
MAR-TRE-799db12b-65
0.314
MAR-TRE-799db12b-98
0.314
MAR-TRE-e82e6c98-48
0.309
MAR-TRE-e82e6c98-22
0.309
MAR-TRE-8190bb11-8
0.305
SAN-PRS-52b81272-1
0.304
MAR-TRE-e82e6c98-2
0.304
MAR-TRE-8190bb11-99
0.303
MAR-TRE-e82e6c98-85
0.302
MAR-TRE-8190bb11-34
0.301
MAR-TRE-e82e6c98-10
0.301
MAR-TRE-4f781e27-76
0.300
MAR-TRE-be9ff7d2-59
0.298
MAR-TRE-799db12b-72
0.298
MAR-TRE-66ac689e-47
0.298
MAR-TRE-be9ff7d2-42
0.296
MAR-TRE-92684b97-62
0.294
MAR-TRE-e82e6c98-61
0.294
MAR-TRE-66ac689e-21
0.294
MAR-TRE-4f781e27-8
0.294
MAR-TRE-799db12b-18
0.294
MAR-TRE-92684b97-83
0.293
MAR-TRE-799db12b-29
0.293
MAR-TRE-8190bb11-42
0.292
MAR-TRE-be9ff7d2-92
0.291
MAR-TRE-8190bb11-46
0.291
MAR-TRE-be9ff7d2-81
0.291
MAR-TRE-799db12b-7
0.291
MAR-TRE-66ac689e-29
0.291
MAR-TRE-8190bb11-81
0.290
MAR-TRE-9d18ae8c-34
0.290
MAR-TRE-e82e6c98-62
0.290
MAR-TRE-c317dd82-83
0.290
MAR-TRE-9d18ae8c-89
0.289
MAR-TRE-4f781e27-99
0.289
MAR-TRE-be9ff7d2-100
0.288
MAR-TRE-8190bb11-33
0.287
MAR-TRE-9d18ae8c-36
0.286
MAR-TRE-be9ff7d2-51
0.286
MAR-TRE-9d18ae8c-16
0.284
MAR-TRE-66ac689e-20
0.284
MAR-TRE-be9ff7d2-77
0.283
MAR-TRE-be9ff7d2-43
0.283
MAR-TRE-c317dd82-65
0.282
MAR-TRE-c317dd82-4
0.282
MAR-TRE-8190bb11-86
0.282
MAR-TRE-4f781e27-7
0.282
MAR-TRE-be9ff7d2-30
0.282
MAR-TRE-66ac689e-78
0.282
MAR-TRE-92684b97-52
0.281
MAR-TRE-e82e6c98-54
0.281
MAR-TRE-e82e6c98-47
0.281
MAR-TRE-a9136c7b-76
0.280
MAR-TRE-799db12b-69
0.280
MAR-TRE-c317dd82-60
0.280
MAR-TRE-799db12b-51
0.280
MAR-TRE-92684b97-39
0.280
MAR-TRE-be9ff7d2-19
0.280
MAR-TRE-be9ff7d2-17
0.280
MAR-TRE-92684b97-78
0.280
MAR-TRE-8190bb11-27
0.279
MAR-TRE-e82e6c98-4
0.279
MAR-TRE-799db12b-4
0.279
MAR-TRE-a9136c7b-31
0.279
MAR-TRE-e82e6c98-64
0.279
MAR-TRE-c317dd82-81
0.279
MAR-TRE-92684b97-37
0.279
MAR-TRE-c317dd82-80
0.279
MAR-TRE-66ac689e-67
0.279
MAR-TRE-e82e6c98-26
0.278
MAR-TRE-799db12b-14
0.278
MAR-TRE-799db12b-64
0.278
MAR-TRE-e82e6c98-92
0.278
MAR-TRE-8190bb11-82
0.277
MAR-TRE-9d18ae8c-46
0.276
MAR-TRE-be9ff7d2-60
0.276
MAR-TRE-c317dd82-14
0.276
MAR-TRE-a9136c7b-100
0.276
MAR-TRE-4f781e27-75
0.276
MAR-TRE-4f781e27-89
0.276
MAR-TRE-9d18ae8c-65
0.275
MAR-TRE-e82e6c98-49
0.275
MAR-TRE-e82e6c98-35
0.275
MAR-TRE-c317dd82-40
0.275