Molecular Properties | |
SMILES: | N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCC(N)=O |
MW: | 327.08 |
Fraction sp3: | 0.07 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 134.89 |
cLogP: | 1.37 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5976825565 |
MolPort: | MolPort-002-260-991 |
aniline
MAR-TRE-4f781e27-98
0.472
MAR-TRE-6c5ef77a-31
0.458
MAR-TRE-a3327163-37
0.406
MAR-TRE-0fda4e82-31
0.402
MAR-TRE-1c920f6f-42
0.383
MAR-TRE-a3327163-66
0.363
MAR-TRE-1c920f6f-38
0.362
MAR-TRE-14ce9fd6-20
0.358
MAR-TRE-14ce9fd6-4
0.354
MAR-TRE-14ce9fd6-15
0.353
MAR-TRE-d0525fbf-93
0.352
MAR-TRE-6c5ef77a-48
0.351
MAR-TRE-14ce9fd6-22
0.349
JOH-UNI-522b0723-10
0.348
MAR-TRE-1c920f6f-16
0.345
MAR-TRE-14ce9fd6-61
0.342
JOH-UNI-522b0723-8
0.340
PET-SGC-0f1d26ed-2
0.337
JOH-UNI-522b0723-11
0.337
JOH-UNI-522b0723-9
0.330
MAR-TRE-6c5ef77a-74
0.330
CHR-SOS-7098f804-7
0.329
MAR-TRE-0fda4e82-30
0.329
CLI-UNI-032f7715-2
0.329
MAR-TRE-6c5ef77a-47
0.323
MAR-TRE-f5c2d31c-6
0.323
MAR-TRE-1c920f6f-20
0.322
NAU-LAT-64f4b287-8
0.321
JOH-UNI-522b0723-7
0.320
MAR-TRE-0fda4e82-1
0.319
MAR-TRE-0fda4e82-12
0.318
MAR-TRE-1c920f6f-96
0.315
CHR-SOS-7098f804-9
0.313
JOH-UNI-522b0723-12
0.312
JOH-UNI-522b0723-13
0.309
MAR-TRE-a3327163-82
0.308
MAR-TRE-1c920f6f-65
0.308
CHR-SOS-7098f804-8
0.307
MAK-UNK-30aad1f1-3
0.304
MAR-TRE-0fda4e82-22
0.303
MAK-UNK-30aad1f1-17
0.302
MAR-TRE-6c5ef77a-71
0.302
SWA-SYN-40d44a84-3
0.298
MAR-TRE-6c5ef77a-68
0.298
MAR-TRE-14ce9fd6-37
0.298
MAR-TRE-a3327163-24
0.297
MAR-TRE-14ce9fd6-43
0.297
MAK-UNK-30aad1f1-16
0.297
MAR-TRE-a3327163-1
0.297
PET-SGC-0f1d26ed-1
0.295
MAR-TRE-6c5ef77a-45
0.295
MAR-TRE-0fda4e82-47
0.293
MAR-TRE-14ce9fd6-7
0.293
MAR-TRE-1c920f6f-19
0.293
SID-ELM-8b394441-5
0.293
MAR-TRE-14ce9fd6-86
0.293
MAR-TRE-6c5ef77a-66
0.292
MAR-TRE-a3327163-53
0.291
MAK-UNK-30aad1f1-2
0.290
CAS-DEP-e179b1f5-3
0.290
MAR-TRE-14ce9fd6-70
0.289
MAR-TRE-14ce9fd6-6
0.287
MAK-UNK-30aad1f1-4
0.286
MAR-TRE-6c5ef77a-26
0.286
MAR-TRE-6c5ef77a-51
0.284
MAR-TRE-1c920f6f-30
0.284
MAR-TRE-6c5ef77a-46
0.283
MAR-TRE-6c5ef77a-67
0.283
MAR-TRE-1c920f6f-100
0.283
SID-ELM-2583a2cd-5
0.282
MAR-TRE-1c920f6f-47
0.281
MAR-TRE-6c5ef77a-17
0.280
MAR-TRE-1c920f6f-44
0.280
MAR-TRE-a3327163-46
0.280
MAR-TRE-0fda4e82-76
0.280
MAR-TRE-0fda4e82-81
0.279
MAR-TRE-1c920f6f-75
0.279
MAR-TRE-f5c2d31c-30
0.277
MAR-TRE-6c5ef77a-89
0.276
MAR-TRE-6c5ef77a-32
0.276
MAT-POS-b5746674-124
0.274
MAR-TRE-1c920f6f-26
0.274
MAR-TRE-1c920f6f-95
0.274
MAR-TRE-1c920f6f-81
0.272
JOH-UNI-c7afdb96-12
0.272
MAR-TRE-0fda4e82-29
0.271
JOH-SUS-bab12148-1
0.270
MAR-TRE-a3327163-88
0.269
MAR-TRE-0fda4e82-72
0.268
MAR-TRE-14ce9fd6-19
0.267
JOH-UNI-c7afdb96-4
0.267
MAR-TRE-0fda4e82-11
0.267
DAR-DIA-23aa0b97-3
0.267
MAR-TRE-a3327163-32
0.267
MAR-TRE-a3327163-43
0.267
MAR-TRE-14ce9fd6-27
0.266
MAR-TRE-6c5ef77a-35
0.265
MAT-POS-b5746674-123
0.265
MAR-TRE-4f781e27-49
0.265
MAR-TRE-6c5ef77a-55
0.265