Molecular Properties | |
SMILES: | CNS(=O)(=O)c1ccc(C#N)c(C2CN(C(=O)CCl)Cc3ccccc32)c1 |
MW: | 403.891 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 90.27 |
cLogP: | 2.17928 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Hetero_hetero
NIR-THE-c331be7a-4
0.506
MIH-UNI-e573136b-9
0.506
NIR-THE-c331be7a-2
0.494
NIR-THE-c331be7a-6
0.488
AAR-POS-0daf6b7e-14
0.476
DAR-DIA-caba39e3-10
0.475
DAR-DIA-caba39e3-9
0.458
DAR-DIA-caba39e3-8
0.447
DAR-DIA-caba39e3-7
0.447
DAR-DIA-caba39e3-3
0.444
MIH-UNI-e573136b-12
0.439
TAM-UNI-d1c3dd9f-3
0.439
NIR-THE-c331be7a-5
0.439
NIR-THE-c331be7a-1
0.438
DAR-DIA-caba39e3-1
0.438
DAR-DIA-caba39e3-12
0.435
DAR-DIA-caba39e3-2
0.435
IND-SYN-6c8299e8-3
0.432
TAM-UNI-d1c3dd9f-8
0.430
DAV-CRI-3fe943ba-1
0.424
JAR-IMP-ed466bb3-2
0.411
DAR-DIA-caba39e3-4
0.409
DAR-DIA-caba39e3-11
0.409
DAR-DIA-caba39e3-5
0.407
DAR-DIA-caba39e3-6
0.407
DAV-CRI-3fe943ba-2
0.406
MAK-UNK-10799360-18
0.400
TAM-UNI-d1c3dd9f-11
0.391
DAR-DIA-caba39e3-13
0.387
MIH-UNI-e573136b-15
0.378
TAM-UNI-d1c3dd9f-7
0.374
NIR-THE-c331be7a-3
0.372
MAK-UNK-702fb7d3-12
0.367
JAN-LUN-04aedcc0-6
0.367
MIH-UNI-e573136b-11
0.362
MAK-UNK-702fb7d3-14
0.359
THO-SYG-4e0386bb-2
0.359
THO-SYG-4e0386bb-3
0.356
REN-UFA-aaaed2d6-5
0.350
THO-SYG-4e0386bb-1
0.344
SAL-INS-1c7a5a55-1
0.340
MIH-UNI-e573136b-10
0.337
JAR-IMP-ed466bb3-13
0.337
JAR-IMP-ed466bb3-8
0.333
MAK-UNK-702fb7d3-13
0.328
JAR-IMP-ed466bb3-4
0.327
MAT-POS-7174c657-3
0.327
JOH-MSK-2d8052dc-1
0.325
SAL-INS-1c7a5a55-5
0.324
REN-UFA-aaaed2d6-6
0.324
REN-UFA-aaaed2d6-2
0.323
JAR-IMP-ed466bb3-6
0.322
REN-UFA-aaaed2d6-3
0.316
MAK-UNK-10799360-17
0.314
MAR-TRE-6a44bbf2-7
0.312
AAR-POS-d2a4d1df-37
0.312
JAR-IMP-ed466bb3-1
0.307
TAM-UNI-d1c3dd9f-6
0.307
MAK-UNK-702fb7d3-21
0.305
MAK-UNK-6ca90168-7
0.305
RAI-NOV-a7d52b4a-3
0.305
MAK-UNK-3f402c2b-13
0.303
SAL-INS-1c7a5a55-3
0.303
DOU-UNK-b5326f8f-14
0.302
SAL-INS-1c7a5a55-2
0.301
MAK-UNK-6ca90168-9
0.300
STU-CHA-83dacf15-1
0.298
DRR-IMP-dff87f5e-9
0.297
MAK-UNK-90d0606b-6
0.296
SAD-SAT-f2e2579e-4
0.295
REN-UFA-aaaed2d6-1
0.294
JAR-IMP-ed466bb3-12
0.293
REN-UFA-aaaed2d6-4
0.287
SAL-INS-1c7a5a55-4
0.286
RAI-NOV-2f6a9876-6
0.286
MAK-UNK-702fb7d3-17
0.286
MAK-UNK-3f402c2b-2
0.286
MAK-UNK-7c9d1431-19
0.284
SAL-INS-1c7a5a55-6
0.283
MAR-TRE-6a44bbf2-26
0.283
MAK-UNK-7c9d1431-8
0.283
RAI-NOV-a7d52b4a-1
0.282
SAD-SAT-f2e2579e-10
0.282
MAK-UNK-702fb7d3-1
0.281
DRR-IMP-dff87f5e-8
0.280
RAI-NOV-a7d52b4a-4
0.279
TAT-ENA-80bfd3e5-25
0.278
MAK-UNK-7c9d1431-4
0.278
DAN-MCD-02570321-1
0.278
SAD-SAT-89668ff1-4
0.277
PEI-IMP-e4a008a2-1
0.277
MAK-UNK-6ca90168-6
0.277
SAD-SAT-1f400d17-9
0.276
JAR-IMP-ed466bb3-7
0.276
MAK-UNK-702fb7d3-20
0.276
MAR-TRE-6a44bbf2-28
0.275
MAK-UNK-7c9d1431-13
0.275
MAR-TRE-6a44bbf2-78
0.275
MAK-UNK-7c9d1431-23
0.275
JAR-IMP-ed466bb3-3
0.274