Molecular Properties | |
SMILES: | O=C(CCl)CNC(=O)CC(=O)NCc1ccccc1 |
MW: | 282.727 |
Fraction sp3: | 0.31 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 75.27 |
cLogP: | 0.616999999999999 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
beta-keto/anhydride
Ketones
Filter64_halo_ketone_sulfone
aliphatic ketone not ring and not di-carbonyl
Ketone
Long aliphatic chain
VIR-GIT-7b3d3065-2
GIA-UNK-3f36037a-4
0.537
GIA-UNK-3f36037a-6
0.459
JOH-UNI-c7afdb96-15
0.424
NAU-LAT-64f4b287-9
0.400
GIA-UNK-3f36037a-3
0.367
MAK-UNK-f983951f-22
0.350
LON-WEI-1908424e-1
0.343
AAR-UNI-c25c2f1e-9
0.333
SAD-SAT-2fd372d1-2
0.333
MAK-UNK-f983951f-13
0.328
MAR-TRE-6a44bbf2-70
0.324
MAK-UNK-f983951f-23
0.322
SAD-SAT-65574d3f-2
0.317
MAK-UNK-f983951f-26
0.317
MAR-TRE-6a44bbf2-73
0.317
AAR-UNI-c25c2f1e-21
0.312
MAK-UNK-f983951f-5
0.311
MAR-TRE-6a44bbf2-23
0.306
SAD-SAT-65574d3f-3
0.305
DAV-IMP-59dd6621-27
0.305
MAR-TRE-3e4e6814-5
0.304
PAT-GYR-de8eec61-1
0.304
ANT-DIA-b7f58f21-4
0.304
ALE-UNK-fca05062-6
0.302
MAR-TRE-a3327163-30
0.301
MAR-TRE-3159af1a-14
0.296
MAR-TRE-f6f5f473-94
0.296
MAR-TRE-a3327163-36
0.296
SAD-SAT-6b5a89f0-8
0.296
MAR-TRE-3e4e6814-84
0.294
DRR-IMP-38dce17f-3
0.290
MAK-UNK-7c9d1431-24
0.290
JUA-UNI-b93289a4-6
0.290
NIM-UNI-bb9030bf-1
0.289
ALE-UNK-fca05062-3
0.286
MAK-UNK-194150d3-12
0.286
MAR-TRE-f6f5f473-82
0.284
AAR-UNI-c25c2f1e-64
0.284
AAR-UNI-c25c2f1e-2
0.284
WIL-UNI-1faa9b10-51
0.284
MAK-UNK-f983951f-11
0.283
MAR-TRE-fd17a9b8-91
0.282
NEL-UNI-1464a899-4
0.281
MAR-TRE-4b834d9a-52
0.281
AAR-UNI-c25c2f1e-35
0.280
MAR-TRE-3e4e6814-12
0.279
MAR-TRE-a78003aa-69
0.277
ALE-UNK-fca05062-4
0.277
MAR-TRE-3e4e6814-73
0.276
MAR-TRE-74c6519b-27
0.276
MAR-TRE-f6f5f473-55
0.276
MAR-UCB-195bc32d-22
0.275
MAK-UNK-15efde89-1
0.275
NIC-BIO-3276ca7f-7
0.275
MAR-TRE-6a44bbf2-9
0.274
JUA-UNI-a9dfaed1-6
0.274
DAN-MCD-9b81d1fa-1
0.273
MAR-TRE-3e4e6814-14
0.273
MAT-POS-b5746674-61
0.273
DAN-MCD-1c3944e2-1
0.273
DAN-MCD-b3a5626f-1
0.273
MAR-TRE-6a44bbf2-5
0.273
MAK-UNK-752736de-12
0.270
MAR-TRE-4b834d9a-23
0.270
DAN-MCD-5390ac8b-1
0.270
MAR-TRE-6a44bbf2-44
0.268
JUA-UNI-b93289a4-5
0.267
PAT-GYR-de8eec61-3
0.267
MAR-TRE-b77b7921-1
0.267
MAR-TRE-3e4e6814-7
0.267
NIM-NMI-8bb27a2b-10
0.266
SAD-SAT-1f400d17-1
0.266
MAR-TRE-f6f5f473-90
0.265
MAR-SOS-82e3a7c7-9
0.264
MAR-SOS-c7881798-9
0.264
AAR-UNI-c25c2f1e-51
0.264
MAR-TRE-b77b7921-46
0.264
GIA-UNK-d2defdc3-7
0.263
AAR-UNI-c25c2f1e-70
0.263
MAR-SOS-82e3a7c7-12
0.262
MAR-SOS-c7881798-4
0.262
MAK-UNK-10799360-2
0.262
NAU-LAT-f723e322-5
0.262
NIC-BIO-3276ca7f-4
0.262
MAK-UNK-942dcb71-17
0.262
JUA-UNI-a9dfaed1-5
0.261
AAR-POS-d2a4d1df-31
0.261
MAR-TRE-6a44bbf2-28
0.261
MAK-UNK-7c9d1431-23
0.261
MAR-TRE-92684b97-51
0.260
MAK-UNK-194150d3-8
0.260
MAK-UNK-10dfa458-39
0.260
MAR-TRE-04c86cea-6
0.258
MAR-TRE-04c86cea-23
0.258
AAR-UNI-c25c2f1e-23
0.256
MAT-POS-b5746674-58
0.256
SAD-SAT-29425be4-29
0.256
MAR-TRE-74c6519b-47
0.253
MAR-TRE-423310b6-10
0.253
SIM-SYN-7db9eb24-1
0.253