Molecular Properties | |
SMILES: | O=C(NC1(CO)CCCc2ccccc21)c1cncnc1 |
MW: | 283.13 |
Fraction sp3: | 0.31 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 75.11 |
cLogP: | 1.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-66ac689e-90
0.533
MAR-TRE-9d18ae8c-27
0.527
MAR-TRE-9d18ae8c-32
0.500
MAR-TRE-92684b97-73
0.494
MAR-TRE-9d18ae8c-61
0.478
MAR-TRE-9d18ae8c-39
0.423
MAR-TRE-9d18ae8c-42
0.397
MAR-TRE-9d18ae8c-72
0.387
MAR-TRE-4f781e27-21
0.382
MAR-TRE-92684b97-76
0.380
MAR-TRE-66ac689e-55
0.378
MAR-TRE-92684b97-4
0.368
MAR-TRE-4f781e27-33
0.367
MAR-TRE-9d18ae8c-33
0.362
MAR-TRE-66ac689e-35
0.361
MAR-TRE-66ac689e-83
0.349
MAR-TRE-c317dd82-68
0.347
MAR-TRE-92684b97-31
0.345
MAR-TRE-4f781e27-35
0.341
MAR-TRE-9d18ae8c-96
0.338
MAR-TRE-66ac689e-7
0.337
MAR-TRE-9d18ae8c-76
0.333
MAR-TRE-9d18ae8c-95
0.333
MAR-TRE-8190bb11-20
0.329
MAR-TRE-92684b97-28
0.322
MAR-TRE-9d18ae8c-78
0.321
MAR-TRE-e82e6c98-41
0.321
MAR-TRE-4f781e27-49
0.321
MAR-TRE-799db12b-54
0.314
MAR-TRE-92684b97-52
0.312
MAR-TRE-e82e6c98-1
0.310
MAR-TRE-66ac689e-70
0.309
MAR-TRE-c317dd82-53
0.309
MAR-TRE-9d18ae8c-71
0.309
MAR-TRE-a9136c7b-27
0.308
MAR-TRE-be9ff7d2-68
0.306
MAR-TRE-e82e6c98-55
0.305
MAR-TRE-9d18ae8c-31
0.305
MAR-TRE-92684b97-19
0.302
MAR-TRE-2fd8122f-63
0.302
MAR-TRE-e82e6c98-83
0.301
MAR-TRE-9d18ae8c-13
0.300
MAR-TRE-92684b97-43
0.300
MAR-TRE-8190bb11-90
0.300
MAR-TRE-9d18ae8c-59
0.300
MAR-TRE-66ac689e-43
0.299
MAR-TRE-66ac689e-66
0.299
MAR-TRE-92684b97-14
0.299
MAR-TRE-8190bb11-40
0.299
MAR-TRE-8190bb11-64
0.298
MAR-TRE-be9ff7d2-76
0.298
MAR-TRE-92684b97-95
0.298
MAR-TRE-be9ff7d2-79
0.295
MAR-TRE-92684b97-79
0.295
MAR-TRE-c317dd82-4
0.295
MAR-TRE-66ac689e-5
0.295
MAR-TRE-c317dd82-62
0.295
MAR-TRE-8190bb11-48
0.293
MAR-TRE-4f781e27-39
0.293
MAR-TRE-92684b97-17
0.293
MAR-TRE-4f781e27-65
0.292
MAR-TRE-66ac689e-34
0.292
MAR-TRE-92684b97-37
0.292
MAR-TRE-66ac689e-29
0.292
MAR-TRE-8190bb11-46
0.292
MAR-TRE-4f781e27-88
0.292
MAR-TRE-9d18ae8c-81
0.292
MAR-TRE-be9ff7d2-70
0.291
MAR-TRE-8190bb11-41
0.291
MAR-TRE-8190bb11-56
0.291
MAR-TRE-a9136c7b-4
0.290
MAR-TRE-92684b97-51
0.289
MAR-TRE-8190bb11-11
0.289
MAR-TRE-8190bb11-96
0.289
MAR-TRE-9d18ae8c-73
0.289
MAR-TRE-9d18ae8c-87
0.289
MAR-TRE-e82e6c98-36
0.289
MAR-TRE-e82e6c98-40
0.289
MAR-TRE-799db12b-59
0.289
MAR-TRE-66ac689e-24
0.289
MAR-TRE-c317dd82-75
0.289
MAR-TRE-8190bb11-91
0.287
MAR-TRE-799db12b-95
0.287
MAR-TRE-8190bb11-33
0.287
MAR-TRE-4f781e27-63
0.287
MAR-TRE-c317dd82-86
0.287
MAR-TRE-66ac689e-73
0.287
MAR-TRE-66ac689e-50
0.287
MAR-TRE-9d18ae8c-45
0.287
MAR-TRE-66ac689e-47
0.286
MAR-TRE-4f781e27-91
0.286
MAR-TRE-a9136c7b-14
0.284
MAR-TRE-92684b97-47
0.284
MAR-TRE-4f781e27-51
0.284
MAR-TRE-4f781e27-92
0.284
MAR-TRE-92684b97-98
0.283
MAR-TRE-799db12b-74
0.282
MAR-TRE-92684b97-38
0.282
MAR-TRE-c317dd82-65
0.281
MAR-TRE-4f781e27-56
0.281