Molecular Properties | |
SMILES: | N#Cc1c(NC(=O)CSc2ncccn2)sc2c1CCCC2 |
MW: | 330.06 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 78.67 |
cLogP: | 3.02 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3869557120 |
MolPort: | MolPort-002-255-652 |
MAR-TRE-1c920f6f-7
0.924
MAR-TRE-0fda4e82-20
0.866
MAR-TRE-1c920f6f-4
0.646
MAR-TRE-1c920f6f-51
0.646
MAR-TRE-14ce9fd6-36
0.637
MAR-TRE-14ce9fd6-67
0.635
MAR-TRE-1c920f6f-21
0.633
MAR-TRE-1c920f6f-12
0.622
MAR-TRE-1c920f6f-41
0.608
MAR-TRE-1c920f6f-60
0.608
MAR-TRE-0fda4e82-43
0.605
MAR-TRE-1c920f6f-45
0.598
PRO-INS-c91ddbbd-1
0.580
MAR-TRE-0fda4e82-18
0.578
MAR-TRE-1c920f6f-57
0.561
MAR-TRE-1c920f6f-37
0.548
MAR-TRE-1c920f6f-32
0.530
MAR-TRE-0fda4e82-61
0.516
MAR-TRE-a3327163-34
0.500
MAR-TRE-14ce9fd6-71
0.500
MAR-TRE-0fda4e82-75
0.500
MAR-TRE-1c920f6f-8
0.448
MAR-TRE-1c920f6f-5
0.448
MAR-TRE-a3327163-27
0.443
MAR-TRE-f5c2d31c-32
0.352
MAR-TRE-f5c2d31c-71
0.350
MAR-TRE-a3327163-20
0.348
MAR-TRE-a3327163-35
0.330
MAR-TRE-0fda4e82-38
0.327
MAR-TRE-a3327163-61
0.311
MAR-TRE-14ce9fd6-45
0.304
MAR-TRE-6c5ef77a-22
0.304
MAR-TRE-14ce9fd6-82
0.295
MAR-TRE-a3327163-46
0.295
MAR-TRE-a3327163-29
0.293
MAR-TRE-1c920f6f-69
0.290
MAR-TRE-f5c2d31c-21
0.289
MAR-TRE-a3327163-71
0.287
MAR-TRE-a3327163-50
0.286
MAR-TRE-6c5ef77a-20
0.284
MAR-TRE-a3327163-15
0.280
MAR-TRE-1c920f6f-74
0.274
MAR-TRE-6c5ef77a-26
0.274
MAR-TRE-6c5ef77a-96
0.273
MAR-TRE-36bf7dba-28
0.270
MAR-TRE-a3327163-43
0.269
MAR-TRE-6c5ef77a-14
0.268
MAR-TRE-a3327163-2
0.267
MAR-TRE-1c920f6f-58
0.267
MAR-TRE-6c5ef77a-33
0.265
MAR-TRE-74c6519b-44
0.264
MAR-TRE-14ce9fd6-29
0.263
MAR-TRE-1c920f6f-42
0.261
MAR-TRE-a3327163-80
0.260
MAR-TRE-14ce9fd6-69
0.260
MAR-TRE-1c920f6f-49
0.260
MAR-TRE-0fda4e82-63
0.260
MAR-TRE-6c5ef77a-67
0.258
MAR-TRE-1c920f6f-62
0.258
MAR-TRE-1c920f6f-100
0.258
MAR-TRE-14ce9fd6-3
0.256
MAR-TRE-1c920f6f-3
0.255
MAR-TRE-1c920f6f-47
0.255
MAR-TRE-0fda4e82-47
0.255
MAR-TRE-14ce9fd6-27
0.255
MAR-TRE-1c920f6f-20
0.255
MAR-TRE-1c920f6f-75
0.253
MAR-TRE-6c5ef77a-66
0.253
MAR-TRE-14ce9fd6-1
0.253
WAR-XCH-bdd24732-24
0.253
MAR-TRE-6c5ef77a-29
0.252
MAR-TRE-1c920f6f-26
0.250
MAR-TRE-b77b7921-18
0.250
MAR-TRE-dab8f6ea-47
0.250
MAR-TRE-1c920f6f-30
0.248
MAR-TRE-6c5ef77a-51
0.248
MAR-TRE-6c5ef77a-45
0.245
MAR-TRE-0fda4e82-72
0.245
MAR-TRE-d0525fbf-93
0.245
MAR-TRE-6c5ef77a-47
0.245
MAR-TRE-f5c2d31c-6
0.245
MAR-TRE-f5c2d31c-64
0.245
MAR-TRE-6c5ef77a-46
0.245
MAR-TRE-a3327163-88
0.245
MAR-TRE-14ce9fd6-43
0.245
MAR-TRE-f5c2d31c-67
0.245
MAR-TRE-f5c2d31c-10
0.244
MAR-TRE-0fda4e82-36
0.243
MAR-TRE-6c5ef77a-35
0.243
MAR-TRE-1c920f6f-44
0.242
MAR-TRE-0fda4e82-76
0.242
MAR-TRE-0fda4e82-6
0.242
MAR-TRE-14ce9fd6-56
0.241
MAR-TRE-6c5ef77a-64
0.240
MAR-TRE-0fda4e82-89
0.240
MAR-TRE-0fda4e82-1
0.240
MAR-TRE-0fda4e82-90
0.238
MAR-TRE-1c920f6f-95
0.238
MAR-TRE-a3327163-42
0.237
MAR-TRE-14ce9fd6-37
0.235