Molecular Properties | |
SMILES: | O=C(Nc1cccc(C(=O)N2CCSCC2)c1)C(F)Cl |
MW: | 316.785 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 49.41 |
cLogP: | 2.3485 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
MolPort: | MolPort-047-567-521 |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | 2020-05-13 |
secondary_halide_sulfate
AAR-POS-d2a4d1df-38
0.683
JOO-IND-6372a4f3-1
0.641
JOO-IND-6372a4f3-3
0.603
MAK-UNK-987948f6-7
0.362
MAK-UNK-987948f6-6
0.349
NIR-THE-ed286faa-1
0.333
JOO-IND-9269dfbd-2
0.333
IND-SYN-6c8299e8-9
0.333
JOO-IND-9269dfbd-1
0.330
NIR-THE-ed286faa-2
0.306
MED-COV-4280ac29-14
0.293
MAK-UNK-6ca90168-15
0.293
SAD-SAT-89668ff1-2
0.284
LON-WEI-120e5cf5-19
0.282
AAR-UNI-c25c2f1e-30
0.280
ASH-SAT-43770c7d-1
0.274
MAK-UNK-1e8f9e3c-3
0.272
SWA-SYN-6423ea73-9
0.268
SWA-SYN-d2e6fa14-10
0.268
SAD-SAT-1f400d17-10
0.268
IND-SYN-6c8299e8-8
0.268
GIA-UNK-995df016-15
0.265
WEI-UNI-64684f14-1
0.265
MAK-UNK-c8c8f7e2-18
0.262
WIL-UNI-1faa9b10-46
0.259
LON-WEI-5e7d1b3e-6
0.258
LON-WEI-4d77710c-6
0.258
LON-WEI-8f408cad-1
0.256
MAK-UNK-7a704a63-10
0.256
AAR-POS-0daf6b7e-11
0.256
MAR-TRE-6a44bbf2-3
0.256
WIL-LEE-23e8b574-8
0.256
MAK-UNK-7a704a63-12
0.253
JAG-UCB-ef2c0e8e-2
0.253
JOH-UNI-c7afdb96-4
0.253
AHN-SAT-de2502ba-6
0.253
MAR-TRE-6a44bbf2-43
0.253
BAR-COM-21d20d65-9
0.253
MAK-UNK-902cc841-12
0.250
MAK-UNK-7a704a63-15
0.250
MAK-UNK-c8c8f7e2-43
0.250
MAK-UNK-c8c8f7e2-23
0.250
DAN-MCD-0742953f-1
0.250
AHN-SAT-de2502ba-5
0.247
JOH-UNI-c7afdb96-5
0.247
MAK-UNK-902cc841-11
0.245
MAK-UNK-902cc841-3
0.245
SAD-SAT-1b030f84-6
0.244
AHN-SAT-de2502ba-4
0.244
MAR-TRE-6a44bbf2-100
0.244
MAK-UNK-c8c8f7e2-16
0.244
JOH-UNI-c7afdb96-8
0.244
MAK-UNK-902cc841-14
0.242
BAR-COM-21d20d65-1
0.242
MAK-UNK-9159f8ed-6
0.242
MAK-UNK-1e8f9e3c-1
0.242
JOH-UNI-c7afdb96-13
0.241
MAK-UNK-10dfa458-3
0.241
MAK-UNK-10dfa458-22
0.241
MAK-UNK-6435e6c2-4
0.241
CHR-SOS-7098f804-8
0.240
MAK-UNK-9159f8ed-5
0.240
CAR-INS-33b3c115-2
0.240
WAR-XCH-bdd24732-3
0.239
MAK-UNK-129dcd6f-9
0.239
JOH-UNI-c7afdb96-7
0.238
MAK-UNK-c8c8f7e2-24
0.238
MAK-UNK-c8c8f7e2-22
0.238
MAK-UNK-902cc841-4
0.238
MAK-UNK-902cc841-13
0.238
CAR-INS-33b3c115-1
0.238
CHR-SOS-7098f804-12
0.237
MAK-UNK-7a704a63-8
0.237
MAK-UNK-c8c8f7e2-15
0.237
MAK-UNK-c8c8f7e2-30
0.237
MAK-UNK-c8c8f7e2-14
0.237
MAK-UNK-7a704a63-2
0.237
MAK-UNK-7a704a63-13
0.237
MAK-UNK-c8c8f7e2-26
0.237
MAK-UNK-90d0606b-8
0.237
WAR-XCH-bdd24732-24
0.236
MAK-UNK-c8c8f7e2-17
0.235
MAK-UNK-c8c8f7e2-13
0.235
MAK-UNK-c8c8f7e2-27
0.235
MAK-UNK-7a704a63-3
0.235
BAR-COM-4e090d3a-58
0.234
LUI-IND-a1be81af-2
0.234
WEI-UNI-64684f14-4
0.234
MAK-UNK-9159f8ed-1
0.233
JOH-UNI-c7afdb96-6
0.233
MAK-UNK-10dfa458-25
0.232
ZAC-WAB-0847d168-1
0.232
MAK-UNK-c8c8f7e2-42
0.232
MAK-UNK-c8c8f7e2-21
0.232
MAK-UNK-009ebe36-2
0.232
WIL-UNI-1faa9b10-36
0.229
DRR-IMP-db50bf6e-2
0.229
SAD-SAT-c989feaa-10
0.228
ASH-SAT-43770c7d-10
0.228
CAS-DEP-751a2458-3
0.228