Molecular Properties | |
SMILES: | Cc1cc(C)n2nc(SCC(=O)Nc3ccc(O)cc3)nc2n1 |
MW: | 329.09 |
Fraction sp3: | 0.2 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 92.41 |
cLogP: | 2.18 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z57724289 |
Enamine REAL: | Z57724289 |
Enamine Extended REAL: | s_7____8177____150214 |
Mcule: | MCULE-4569878843 |
MolPort: | MolPort-000-475-127 |
hydroquinone
MAR-TRE-f5c2d31c-44
0.418
MAR-TRE-f5c2d31c-10
0.380
MAR-TRE-9c797165-14
0.375
MAR-TRE-a3327163-43
0.369
MAR-TRE-1c920f6f-20
0.348
MAR-TRE-f5c2d31c-76
0.345
MAR-TRE-1c920f6f-95
0.341
MAR-TRE-a3327163-88
0.337
MAR-TRE-1c920f6f-100
0.337
MAR-TRE-6c5ef77a-32
0.326
MAR-TRE-0fda4e82-31
0.309
MAR-TRE-a3327163-82
0.304
MAR-TRE-a3327163-32
0.292
MAR-TRE-f5c2d31c-97
0.292
MAR-TRE-f5c2d31c-98
0.291
MAR-TRE-0fda4e82-81
0.291
MAR-TRE-0fda4e82-76
0.290
MAR-TRE-f5c2d31c-95
0.289
MAR-TRE-f5c2d31c-49
0.289
MAR-TRE-f5c2d31c-75
0.289
MAR-TRE-6c5ef77a-35
0.289
MAR-TRE-a3327163-53
0.287
MAR-TRE-f5c2d31c-100
0.287
MAR-TRE-6c5ef77a-74
0.283
MAR-TRE-6c5ef77a-67
0.280
MAR-TRE-0fda4e82-11
0.279
MAR-TRE-0fda4e82-72
0.278
MAR-TRE-1c920f6f-47
0.278
MAR-TRE-0fda4e82-14
0.276
MAR-TRE-a3327163-42
0.273
MAR-TRE-0fda4e82-56
0.273
MAR-TRE-0fda4e82-96
0.271
MAR-TRE-f5c2d31c-84
0.267
MAR-TRE-be9ff7d2-82
0.266
MAR-TRE-6c5ef77a-28
0.265
MAR-TRE-6c5ef77a-17
0.265
MAR-TRE-14ce9fd6-7
0.265
MAR-TRE-1c920f6f-19
0.265
MAR-TRE-f5c2d31c-14
0.264
MAR-TRE-1c920f6f-65
0.263
MAR-TRE-6c5ef77a-14
0.263
MAR-TRE-14ce9fd6-27
0.263
MAR-TRE-14ce9fd6-59
0.263
MAR-TRE-14ce9fd6-78
0.263
MAR-TRE-1c920f6f-75
0.261
MAR-TRE-6c5ef77a-66
0.261
MAR-TRE-6c5ef77a-64
0.260
MAR-TRE-f5c2d31c-15
0.260
MAR-TRE-14ce9fd6-6
0.260
JAG-UCB-a3ef7265-14
0.259
MAR-TRE-f5c2d31c-72
0.258
MAR-TRE-a3327163-20
0.258
MAR-TRE-6c5ef77a-92
0.258
MAR-TRE-f5c2d31c-94
0.258
MAR-TRE-a3327163-18
0.257
HAO-BIO-c9aafde3-8
0.256
JAG-UCB-a3ef7265-12
0.253
MAR-TRE-a3327163-40
0.253
MAR-TRE-f5c2d31c-67
0.253
MAR-TRE-14ce9fd6-43
0.253
MAR-TRE-6c5ef77a-58
0.253
AAR-UNI-c25c2f1e-55
0.253
MAR-TRE-f5c2d31c-6
0.253
MAR-TRE-6c5ef77a-45
0.253
MAR-TRE-6c5ef77a-16
0.253
MAR-TRE-6c5ef77a-47
0.253
MAR-TRE-fd17a9b8-12
0.253
MAR-TRE-a3327163-66
0.250
MAR-TRE-14ce9fd6-68
0.250
MAR-TRE-0fda4e82-94
0.248
MAR-TRE-0fda4e82-59
0.248
MAT-POS-b5746674-117
0.247
MAR-TRE-a3327163-29
0.247
KEI-TRE-d5e2018a-66
0.245
MAR-TRE-a3327163-71
0.245
MAR-TRE-6c5ef77a-12
0.245
MAR-TRE-1c920f6f-26
0.245
MAR-TRE-f5c2d31c-65
0.244
MAR-TRE-1c920f6f-30
0.242
MAR-TRE-1c920f6f-42
0.242
MAR-TRE-fd17a9b8-97
0.241
MAR-TRE-6c5ef77a-55
0.238
MAR-TRE-6a44bbf2-55
0.235
MAR-TRE-f5c2d31c-69
0.235
MAR-TRE-a3327163-48
0.235
MAR-TRE-a3327163-11
0.233
MAR-TRE-0fda4e82-100
0.232
MAR-TRE-a3327163-54
0.232
KEI-TRE-d5e2018a-51
0.231
MAR-TRE-a3327163-34
0.230
JAG-UCB-a3ef7265-22
0.230
BEN-VAN-ed886787-8
0.229
MAR-TRE-a3327163-80
0.229
WIL-UNI-2a57d06c-29
0.229
MAN-SYN-45e45961-3
0.228
MAR-TRE-6c5ef77a-46
0.227
MAR-TRE-7f7bb9f0-93
0.226
MAR-TRE-f5c2d31c-80
0.226
MAR-TRE-1c920f6f-97
0.226
MAR-TRE-1c920f6f-5
0.225