Molecular Properties | |
SMILES: | CCC(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C |
MW: | 298.408 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 75.27 |
cLogP: | 1.7896 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine REAL: | Z854851374 |
Enamine Extended REAL: | s_22____2007824____58887 |
Hetero_hetero
AAR-POS-0daf6b7e-10
JUA-UNI-b93289a4-3
0.706
JUA-UNI-a9dfaed1-2
0.704
JUA-UNI-a9dfaed1-3
0.483
AHN-SAT-de2502ba-2
0.352
MAR-TRE-6a44bbf2-30
0.352
AHN-SAT-de2502ba-12
0.342
SAD-SAT-65574d3f-8
0.342
MAR-TRE-6a44bbf2-20
0.342
MAK-UNK-69bf97dd-8
0.286
JON-UIO-066ce08b-15
0.284
MAR-TRE-66ac689e-47
0.280
ANT-OPE-6a16a9ad-1
0.279
MAK-UNK-69bf97dd-7
0.279
SAD-SAT-135344c3-3
0.271
MAR-TRE-799db12b-64
0.271
ANT-DIA-b7f58f21-3
0.270
MAK-UNK-69bf97dd-6
0.270
WIL-UNI-1faa9b10-27
0.267
SAD-SAT-135344c3-1
0.261
WAR-XCH-79d12f6e-2
0.256
ANT-OPE-7c194559-1
0.253
MAK-UNK-752736de-4
0.253
MAR-TRE-6a44bbf2-34
0.253
FRA-BIO-8bf1eac9-3
0.250
SAN-PRS-3c4a6997-10
0.250
ALE-UNK-fca05062-6
0.250
WIL-UNI-1faa9b10-22
0.247
MAK-UNK-942dcb71-8
0.247
WIL-NOV-649f4ed0-4
0.246
MAK-UNK-27459e11-8
0.246
ANT-OPE-6a16a9ad-2
0.244
MAK-UNK-942dcb71-7
0.244
MAR-TRE-fd17a9b8-90
0.241
JAR-KUA-41bd5a3d-12
0.240
MAR-TRE-6a44bbf2-97
0.239
WAR-XCH-79d12f6e-11
0.237
NIR-THE-99f25457-3
0.237
MAR-TRE-74c6519b-78
0.236
MAK-UNK-27459e11-7
0.235
MAR-TRE-6a44bbf2-11
0.235
JOH-IMS-62aeb97d-5
0.234
TAM-UNI-d1c3dd9f-21
0.233
WIL-UNI-1faa9b10-19
0.232
AAR-UNI-c25c2f1e-17
0.230
DRE-WAB-9b73098a-1
0.230
ALE-UNK-fca05062-8
0.229
SEL-UNI-cd366922-6
0.228
WIL-UNI-1faa9b10-49
0.227
JUA-UNI-b93289a4-1
0.227
JUA-UNI-b93289a4-6
0.227
NAU-LAT-64f4b287-9
0.225
GIA-UNK-3f36037a-5
0.225
WIL-NOV-649f4ed0-6
0.225
MAR-TRE-6a44bbf2-27
0.225
MAR-TRE-9d18ae8c-25
0.225
MAR-TRE-66ac689e-30
0.225
MAR-TRE-4b834d9a-95
0.225
MAK-UNK-a7b37c5e-2
0.224
MAR-TRE-4b834d9a-85
0.223
MAR-TRE-8190bb11-82
0.222
MAR-TRE-3159af1a-9
0.222
AAR-UNI-c25c2f1e-31
0.222
MAR-TRE-8190bb11-81
0.222
MAR-TRE-92684b97-54
0.222
MAR-TRE-fd17a9b8-60
0.221
BAR-COM-5694a99d-3
0.221
MAR-TRE-2fd8122f-25
0.220
MAR-TRE-4b834d9a-33
0.220
ALP-POS-df536be7-5
0.220
MAR-TRE-3159af1a-8
0.220
MAR-TRE-d0525fbf-43
0.217
DUN-NEW-f8ce3686-21
0.217
MAR-TRE-a78003aa-46
0.217
MAK-UNK-7c9d1431-20
0.216
MAK-UNK-7c9d1431-12
0.216
MAR-TRE-fd17a9b8-35
0.216
MAR-TRE-fd17a9b8-95
0.216
TAT-ENA-80bfd3e5-8
0.216
JAN-GHE-4287bd1a-2
0.215
AAR-UNI-c25c2f1e-16
0.215
DAR-DIA-6a49afbe-12
0.215
MAR-TRE-3159af1a-5
0.215
MAR-TRE-b77b7921-29
0.214
JIA-UNI-9972d268-2
0.214
VIJ-CYC-1a381570-11
0.214
MAR-TRE-fd17a9b8-82
0.214
MIC-UNK-96659df2-6
0.214
AAR-UNI-c25c2f1e-80
0.213
JUA-UNI-b93289a4-4
0.213
MAK-UNK-c749d764-17
0.213
IND-SYN-8bc6954a-2
0.213
MAR-UCB-195bc32d-22
0.213
VIJ-CYC-1a381570-10
0.212
SEL-UNI-cd366922-2
0.212
MAK-UNK-f983951f-13
0.212
MAR-TRE-74c6519b-9
0.212
SAD-SAT-65574d3f-3
0.212
MAR-TRE-66ac689e-29
0.212
SIM-DEM-f31d0e65-1
0.212
MAR-TRE-4b834d9a-55
0.211