Molecular Properties | |
SMILES: | N#Cc1cnc(SCC(=O)Nc2ccccc2F)nc1N |
MW: | 303.06 |
Fraction sp3: | 0.08 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 104.69 |
cLogP: | 1.8 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8471493833 |
MolPort: | MolPort-002-296-818 |
aniline
MAR-TRE-6c5ef77a-22
0.539
MAR-TRE-1c920f6f-74
0.532
MAR-TRE-0fda4e82-1
0.512
MAR-TRE-6c5ef77a-45
0.512
MAR-TRE-6c5ef77a-35
0.506
MAR-TRE-6c5ef77a-8
0.447
MAR-TRE-0fda4e82-5
0.442
MAR-TRE-6c5ef77a-1
0.415
MAR-TRE-0fda4e82-34
0.397
MAR-TRE-0fda4e82-4
0.380
MAR-TRE-d0525fbf-93
0.378
MAR-TRE-a3327163-9
0.371
MAR-TRE-a3327163-33
0.361
MAR-TRE-f5c2d31c-67
0.357
MAR-TRE-0fda4e82-90
0.356
MAR-TRE-1c920f6f-3
0.353
MAR-TRE-1c920f6f-49
0.352
JOH-UNI-c7afdb96-9
0.337
MAR-TRE-a3327163-20
0.330
MAR-TRE-f5c2d31c-14
0.325
MAR-TRE-b77b7921-42
0.324
MAR-TRE-f5c2d31c-49
0.318
MAR-TRE-d0525fbf-47
0.317
MAR-TRE-74c6519b-44
0.310
MAR-TRE-6c5ef77a-96
0.309
MAR-TRE-a3327163-43
0.307
MAR-TRE-a3327163-92
0.305
MAR-TRE-0fda4e82-60
0.302
MAR-TRE-0fda4e82-89
0.301
MAR-TRE-f5c2d31c-94
0.298
MAR-TRE-a3327163-35
0.295
MAR-TRE-14ce9fd6-67
0.295
MAR-TRE-1c920f6f-46
0.295
MAR-TRE-1c920f6f-4
0.294
AAR-UNI-c25c2f1e-55
0.292
MAR-TRE-1c920f6f-75
0.291
MAR-TRE-3e4e6814-95
0.290
MAR-TRE-fd17a9b8-78
0.290
MAR-TRE-6c5ef77a-66
0.289
ANT-DIA-3c79be55-2
0.286
MAR-TRE-1c920f6f-42
0.284
MAR-TRE-b77b7921-84
0.283
MAR-TRE-a3327163-18
0.283
MAR-TRE-6c5ef77a-74
0.283
MAR-TRE-1c920f6f-30
0.281
MAR-TRE-6c5ef77a-51
0.281
MAR-TRE-14ce9fd6-36
0.280
MAR-TRE-0fda4e82-84
0.280
MAR-TRE-1c920f6f-7
0.278
MAR-TRE-f5c2d31c-6
0.278
MAR-TRE-6c5ef77a-47
0.278
MAR-TRE-0fda4e82-47
0.277
BAR-COM-4e090d3a-14
0.273
MAR-TRE-0fda4e82-70
0.272
MAR-TRE-0fda4e82-20
0.271
MAR-TRE-0fda4e82-54
0.270
MAR-TRE-6c5ef77a-26
0.269
MAR-TRE-dab8f6ea-34
0.268
MAR-TRE-0fda4e82-63
0.268
MAR-TRE-f5c2d31c-10
0.267
MAR-TRE-0fda4e82-67
0.267
MAR-TRE-6c5ef77a-67
0.266
MAR-TRE-6c5ef77a-20
0.266
MAR-TRE-14ce9fd6-7
0.265
MAR-TRE-a3327163-61
0.264
MAR-TRE-1c920f6f-47
0.264
MAR-TRE-f5c2d31c-97
0.264
MAR-TRE-a3327163-82
0.263
MAR-TRE-1c920f6f-44
0.263
MAR-TRE-14ce9fd6-27
0.263
MAR-TRE-4f781e27-57
0.263
MAR-TRE-6c5ef77a-14
0.263
VLA-UNK-9a7dc93f-2
0.263
MAK-UNK-6ca90168-29
0.263
MAR-TRE-a3327163-15
0.261
MAR-TRE-f5c2d31c-75
0.261
MAR-TRE-14ce9fd6-6
0.260
MAR-TRE-1c920f6f-5
0.259
MAR-TRE-0fda4e82-38
0.257
MAR-TRE-1c920f6f-51
0.257
MAR-TRE-a3327163-71
0.257
MAK-UNK-72659d64-9
0.256
RAL-THA-2d450e86-37
0.256
MAR-TRE-a3327163-34
0.255
MAR-TRE-14ce9fd6-37
0.255
MAR-TRE-0fda4e82-31
0.255
MAR-TRE-14ce9fd6-43
0.253
ANT-DIA-3c79be55-1
0.253
MAR-TRE-6c5ef77a-46
0.253
MAR-TRE-0fda4e82-72
0.253
RAL-THA-2d450e86-28
0.253
PET-UNK-dd44aeb6-3
0.253
MAR-TRE-1c920f6f-19
0.252
MAR-TRE-a3327163-32
0.250
MAR-TRE-0fda4e82-11
0.250
MAR-TRE-0fda4e82-76
0.250
MAR-TRE-1c920f6f-12
0.250
MAR-TRE-1c920f6f-20
0.250
MAR-TRE-66ac689e-50
0.250
MAT-POS-b5746674-123
0.250