Molecular Properties | |
SMILES: | Cc1sc2nc(CCNC(=O)CSc3ccccn3)[nH]c(=O)c2c1C |
MW: | 374.09 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 87.74 |
cLogP: | 2.45 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6111724175 |
MolPort: | MolPort-038-410-414 |
MAR-TRE-c8530538-80
0.578
MAR-TRE-c8530538-34
0.433
MAR-TRE-c8530538-48
0.430
MAR-TRE-f6f5f473-71
0.420
MAR-TRE-c8530538-30
0.412
MAR-TRE-c8530538-50
0.386
MAR-TRE-f5c2d31c-16
0.351
MAR-TRE-fd17a9b8-14
0.351
MAR-TRE-0fda4e82-38
0.337
MAR-TRE-c8530538-79
0.330
MAR-TRE-1c920f6f-33
0.326
MAR-TRE-1c920f6f-75
0.323
NJA-MAN-b8640440-49
0.314
NJA-MAN-b8640440-42
0.313
NJA-MAN-b8640440-27
0.311
NJA-MAN-b8640440-25
0.311
MAR-TRE-c8530538-70
0.308
NJA-MAN-b8640440-46
0.306
MAR-TRE-c8530538-17
0.304
MAR-TRE-c8530538-35
0.304
NJA-MAN-00c90aa2-61
0.303
MAR-TRE-fd17a9b8-80
0.300
MAR-TRE-c8530538-45
0.300
IAN-BAS-09a74a47-1
0.298
NJA-MAN-b8640440-23
0.298
NJA-MAN-b8640440-38
0.298
MAR-TRE-14ce9fd6-36
0.296
MAR-TRE-c8530538-10
0.296
NJA-MAN-b8640440-31
0.295
NJA-MAN-00c90aa2-46
0.294
NJA-MAN-b8640440-44
0.293
NJA-MAN-b8640440-8
0.291
NJA-MAN-b8640440-7
0.291
MAR-TRE-c8530538-97
0.291
NJA-MAN-00c90aa2-62
0.291
MAR-TRE-c8530538-54
0.290
MAR-TRE-c8530538-39
0.288
NJA-MAN-b8640440-6
0.287
NJA-MAN-00c90aa2-24
0.287
NJA-MAN-b8640440-43
0.286
NJA-MAN-b8640440-24
0.286
NJA-MAN-b8640440-41
0.286
NJA-MAN-00c90aa2-54
0.284
NJA-MAN-00c90aa2-59
0.284
NJA-MAN-b8640440-12
0.284
NJA-MAN-00c90aa2-28
0.283
NJA-MAN-00c90aa2-48
0.282
MAR-TRE-c8530538-29
0.282
NJA-MAN-b8640440-16
0.282
NJA-MAN-b8640440-48
0.282
MAR-TRE-fd17a9b8-88
0.281
NJA-MAN-00c90aa2-11
0.280
NJA-MAN-00c90aa2-7
0.280
NJA-MAN-00c90aa2-65
0.279
NJA-MAN-00c90aa2-58
0.279
NJA-MAN-00c90aa2-64
0.279
NJA-MAN-b8640440-10
0.279
NJA-MAN-b8640440-45
0.279
MAR-TRE-0fda4e82-1
0.279
MAR-TRE-c8530538-53
0.279
NJA-MAN-b8640440-21
0.279
NJA-MAN-b8640440-34
0.279
NJA-MAN-00c90aa2-8
0.278
NJA-MAN-00c90aa2-31
0.278
NJA-MAN-00c90aa2-40
0.278
NJA-MAN-b8640440-52
0.278
NJA-MAN-00c90aa2-49
0.277
NJA-MAN-00c90aa2-63
0.277
NJA-MAN-b8640440-19
0.276
NJA-MAN-b8640440-29
0.276
NJA-MAN-00c90aa2-9
0.275
MAR-TRE-0fda4e82-24
0.275
MAR-TRE-f6f5f473-85
0.275
NJA-MAN-b8640440-36
0.275
NJA-MAN-b9fb953f-6
0.275
NJA-MAN-b8640440-5
0.275
NJA-MAN-b8640440-13
0.275
NJA-MAN-00c90aa2-32
0.275
NJA-MAN-00c90aa2-53
0.274
NJA-MAN-00c90aa2-56
0.274
NJA-MAN-b8640440-40
0.274
NJA-MAN-00c90aa2-47
0.273
NJA-MAN-b8640440-15
0.272
NJA-MAN-b8640440-37
0.272
NJA-MAN-00c90aa2-66
0.271
NJA-MAN-b8640440-30
0.271
NJA-MAN-00c90aa2-19
0.271
NJA-MAN-00c90aa2-50
0.270
NJA-MAN-00c90aa2-52
0.270
MAR-TRE-c8530538-96
0.270
NJA-MAN-b8640440-47
0.269
NJA-MAN-00c90aa2-16
0.269
NJA-MAN-b9fb953f-4
0.269
NJA-MAN-b8640440-26
0.269
NJA-MAN-00c90aa2-44
0.269
NJA-MAN-00c90aa2-12
0.269
NJA-MAN-00c90aa2-43
0.269
NJA-MAN-00c90aa2-2
0.269
NJA-MAN-00c90aa2-70
0.269
NJA-MAN-b8640440-39
0.267