Molecular Properties | |
SMILES: | N#Cc1cc(C(=O)Nc2ccccc2)c(NC(=O)c2cncnc2)nc1SCC(=O)O |
MW: | 434.08 |
Fraction sp3: | 0.05 |
HBA: | 8 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 157.96 |
cLogP: | 2.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-0fda4e82-84
0.472
MAR-TRE-4f781e27-49
0.388
MAR-TRE-6c5ef77a-48
0.376
MAR-TRE-be9ff7d2-15
0.355
MAR-TRE-1c920f6f-42
0.344
MAR-TRE-a9136c7b-57
0.333
MAR-TRE-9d18ae8c-52
0.333
JOH-UNI-522b0723-7
0.330
MAR-TRE-a3327163-66
0.330
MAR-TRE-799db12b-40
0.330
MAR-TRE-799db12b-25
0.330
MAR-TRE-a3327163-24
0.329
MAR-TRE-66ac689e-31
0.327
MAR-TRE-14ce9fd6-19
0.326
MAR-TRE-0fda4e82-31
0.324
MAR-TRE-66ac689e-24
0.323
NAU-LAT-64f4b287-8
0.319
MAR-TRE-92684b97-21
0.319
JOH-UNI-522b0723-10
0.317
MAR-TRE-8190bb11-7
0.316
MAR-TRE-4f781e27-12
0.315
MAR-TRE-799db12b-17
0.314
MAR-TRE-66ac689e-7
0.313
MAR-TRE-66ac689e-76
0.313
MAR-TRE-66ac689e-51
0.312
MAR-TRE-9d18ae8c-58
0.312
MAR-TRE-9d18ae8c-15
0.312
JOH-UNI-522b0723-8
0.311
JOH-UNI-522b0723-12
0.311
MAR-TRE-66ac689e-25
0.310
MAR-TRE-9d18ae8c-18
0.310
MAR-TRE-9d18ae8c-2
0.309
JOH-UNI-522b0723-13
0.308
MAR-TRE-4f781e27-57
0.307
MAR-TRE-c317dd82-16
0.307
MAR-TRE-4f781e27-47
0.307
MAR-TRE-799db12b-34
0.307
MAR-TRE-8190bb11-90
0.307
MAR-TRE-8190bb11-51
0.305
MAR-TRE-799db12b-74
0.305
MAR-TRE-9d18ae8c-9
0.304
MAR-TRE-66ac689e-30
0.302
JOH-UNI-522b0723-9
0.302
MAR-TRE-a9136c7b-42
0.300
MAR-TRE-66ac689e-40
0.300
MAR-TRE-9d18ae8c-69
0.299
MAR-TRE-9d18ae8c-82
0.298
MAR-TRE-e82e6c98-38
0.297
JOH-UNI-522b0723-11
0.296
MAR-TRE-799db12b-39
0.296
MAR-TRE-66ac689e-83
0.296
MAR-TRE-9d18ae8c-14
0.296
MAR-TRE-799db12b-43
0.294
MAR-TRE-4f781e27-93
0.294
MAR-TRE-c317dd82-59
0.294
MAR-TRE-799db12b-86
0.294
MAR-TRE-e82e6c98-27
0.293
MAR-TRE-66ac689e-8
0.293
MAR-TRE-92684b97-55
0.293
MAR-TRE-92684b97-25
0.291
MAR-TRE-be9ff7d2-85
0.291
MAR-TRE-14ce9fd6-61
0.291
MAR-TRE-4f781e27-31
0.289
MAR-TRE-799db12b-37
0.288
MAR-TRE-8190bb11-48
0.287
MAR-TRE-66ac689e-29
0.287
MAR-TRE-9d18ae8c-26
0.286
MAR-TRE-799db12b-65
0.286
MAR-TRE-66ac689e-10
0.286
MAR-TRE-799db12b-20
0.286
MAR-TRE-799db12b-63
0.286
MAR-TRE-8190bb11-4
0.284
MAR-TRE-799db12b-48
0.284
MAR-TRE-799db12b-60
0.284
MAR-TRE-8190bb11-65
0.284
MAR-TRE-92684b97-51
0.284
MAR-TRE-9d18ae8c-73
0.284
MAR-TRE-66ac689e-88
0.284
MAR-TRE-c317dd82-56
0.283
MAR-TRE-e82e6c98-24
0.283
MAR-TRE-66ac689e-2
0.283
MAR-TRE-9d18ae8c-29
0.283
MAR-TRE-66ac689e-50
0.283
MAR-TRE-6c5ef77a-31
0.283
MAR-TRE-799db12b-93
0.282
MAR-TRE-e82e6c98-19
0.281
MAR-TRE-66ac689e-43
0.280
MAR-TRE-9d18ae8c-35
0.280
MAR-TRE-c317dd82-45
0.279
MAK-UNK-30aad1f1-3
0.279
MAR-TRE-4f781e27-67
0.279
MAR-TRE-0fda4e82-1
0.279
CHR-SOS-7098f804-9
0.278
PET-SGC-0f1d26ed-2
0.278
MAR-TRE-9d18ae8c-67
0.278
MAR-TRE-92684b97-53
0.277
MAR-TRE-799db12b-89
0.277
MAR-TRE-4f781e27-4
0.277
MAR-TRE-9d18ae8c-68
0.277
MAR-TRE-c317dd82-90
0.277