Molecular Properties | |
SMILES: | O=C(NC(Cc1ccc2c(c1)OCO2)C(=O)O)c1cncnc1 |
MW: | 315.09 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 110.64 |
cLogP: | 0.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-66ac689e-19
0.757
MAR-TRE-e86a56b5-54
0.612
MAR-TRE-66ac689e-87
0.545
MAR-TRE-66ac689e-81
0.541
MAR-TRE-a9136c7b-71
0.538
MAR-TRE-4f781e27-56
0.519
MAR-TRE-8190bb11-23
0.519
MAR-TRE-4f781e27-24
0.500
MAR-TRE-a9136c7b-62
0.494
MAR-TRE-92684b97-41
0.467
MAR-TRE-be9ff7d2-84
0.462
MAR-TRE-92684b97-98
0.458
MAR-TRE-92684b97-22
0.456
MAR-TRE-e82e6c98-100
0.455
MAR-TRE-e82e6c98-20
0.442
MAR-TRE-66ac689e-48
0.438
MAR-TRE-be9ff7d2-61
0.438
MAR-TRE-4f781e27-39
0.434
MAR-TRE-92684b97-5
0.434
MAR-TRE-4f781e27-93
0.429
MAR-TRE-be9ff7d2-10
0.414
MAR-TRE-be9ff7d2-9
0.414
MAR-TRE-4f781e27-94
0.409
MAR-TRE-4f781e27-53
0.409
MAR-TRE-9d18ae8c-66
0.409
MAR-TRE-92684b97-8
0.409
MAR-TRE-be9ff7d2-21
0.400
MAR-TRE-8190bb11-70
0.400
MAR-TRE-92684b97-97
0.398
MAR-TRE-8190bb11-48
0.397
MAR-TRE-8190bb11-97
0.388
MAR-TRE-e86a56b5-35
0.386
MAR-TRE-e82e6c98-79
0.386
JOH-UNI-e19b918c-4
0.377
MAR-TRE-be9ff7d2-93
0.369
MAR-TRE-a9136c7b-74
0.368
MAR-TRE-9d18ae8c-24
0.367
MAR-TRE-be9ff7d2-16
0.366
MAR-TRE-be9ff7d2-47
0.364
AAR-POS-d2a4d1df-31
0.364
MAR-TRE-66ac689e-57
0.362
MAR-TRE-a9136c7b-21
0.362
MAR-TRE-799db12b-94
0.361
JOH-UNI-e19b918c-9
0.360
MAR-TRE-92684b97-92
0.360
MAR-TRE-e82e6c98-70
0.359
MAR-TRE-8190bb11-11
0.358
MAR-TRE-92684b97-51
0.358
MAR-TRE-c317dd82-95
0.356
MAR-TRE-c317dd82-41
0.355
MAR-TRE-9d18ae8c-59
0.354
MAR-TRE-e82e6c98-30
0.354
MAR-TRE-66ac689e-62
0.354
MAR-TRE-e82e6c98-71
0.354
MAR-TRE-66ac689e-18
0.354
MAR-TRE-66ac689e-41
0.354
MAR-TRE-799db12b-50
0.353
MAR-TRE-9d18ae8c-19
0.352
MAR-TRE-92684b97-56
0.350
MAR-TRE-8190bb11-71
0.350
MAR-TRE-a9136c7b-69
0.348
MAR-TRE-8190bb11-90
0.348
JOH-IMS-0f19a540-10
0.347
MAR-TRE-4f781e27-73
0.346
MAR-TRE-92684b97-35
0.346
MAR-TRE-8190bb11-59
0.346
MAR-TRE-fd17a9b8-13
0.345
MAR-TRE-9d18ae8c-97
0.345
MAR-TRE-9d18ae8c-21
0.341
MAR-TRE-9d18ae8c-64
0.341
MAR-TRE-9d18ae8c-87
0.341
MAR-TRE-8190bb11-47
0.341
MAR-TRE-4f781e27-27
0.341
MAR-TRE-8190bb11-18
0.341
MAR-TRE-9d18ae8c-86
0.341
MAR-TRE-799db12b-12
0.340
MAR-TRE-4f781e27-26
0.340
MAR-TRE-799db12b-96
0.337
MAR-TRE-92684b97-75
0.337
MAR-TRE-799db12b-61
0.337
MAR-TRE-e86a56b5-41
0.337
MAR-TRE-e82e6c98-34
0.337
MAR-TRE-be9ff7d2-86
0.337
MAR-TRE-8190bb11-35
0.337
MAR-TRE-c317dd82-38
0.337
MAR-TRE-92684b97-47
0.333
MAR-TRE-9d18ae8c-51
0.333
MAR-TRE-a9136c7b-36
0.333
MAR-TRE-66ac689e-95
0.333
MAR-TRE-66ac689e-97
0.333
MAR-TRE-a9136c7b-22
0.333
MAR-TRE-799db12b-80
0.333
MAR-TRE-85681e92-40
0.333
MAR-TRE-799db12b-47
0.333
MAR-TRE-f5c2d31c-59
0.330
MAR-TRE-92684b97-91
0.330
MAR-TRE-66ac689e-92
0.330
MAR-TRE-8190bb11-6
0.330
MAR-TRE-4f781e27-4
0.330
MAR-TRE-fd17a9b8-77
0.330