Molecular Properties | |
SMILES: | CC(C)(C#N)NC(=O)c1cc(N2CCOCC2)ccc1S(N)(=O)=O |
MW: | 352.416 |
Fraction sp3: | 0.47 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 125.52 |
cLogP: | 0.202580000000001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
cyanohydrin
N-C-Hal or cyano methyl
AAR-POS-0daf6b7e-46
WIL-NOV-649f4ed0-2
0.686
WIL-NOV-649f4ed0-1
0.644
WIL-NOV-649f4ed0-6
0.443
JOH-UNI-522b0723-10
0.319
JOH-UNI-abdb2f0c-2
0.284
AAR-POS-d2a4d1df-19
0.284
WIL-NOV-649f4ed0-4
0.282
BAR-COM-0f94fc3d-33
0.276
BAR-COM-4e090d3a-58
0.274
MAR-TRE-9c797165-83
0.273
WIL-NOV-649f4ed0-3
0.272
ANT-DIA-b7f58f21-9
0.271
LYN-UNI-7bb260d6-10
0.269
MAR-TRE-f5c2d31c-74
0.262
MAR-TRE-f5c2d31c-85
0.262
MAR-TRE-fd17a9b8-85
0.260
WAR-XCH-b6889685-23
0.259
SAD-SAT-f25ee457-2
0.257
MAR-LAB-ca4662a6-5
0.256
WIL-LEE-23e8b574-8
0.256
LYN-UNI-0d9431a4-3
0.255
LYN-UNI-b265e4fd-4
0.255
MAR-TRE-f5c2d31c-99
0.252
MAR-TRE-67513f76-86
0.250
GIA-UNK-30c7cb75-2
0.250
MAR-TRE-f5c2d31c-52
0.250
MAR-TRE-f5c2d31c-66
0.250
SCO-VAN-260d9628-4
0.250
WIL-NOV-066c4001-1
0.250
PET-SGC-cb83a00c-1
0.250
JOH-UNI-abdb2f0c-3
0.250
MAR-TRE-f5c2d31c-42
0.248
MAR-TRE-f5c2d31c-18
0.248
MAR-TRE-fd17a9b8-72
0.248
MAR-TRE-f5c2d31c-96
0.248
JOH-UNI-9dc98897-4
0.247
AAR-POS-d2a4d1df-21
0.247
SAD-SAT-f25ee457-4
0.245
PAT-GYR-de8eec61-5
0.245
JOH-UNI-abdb2f0c-1
0.245
SAD-SAT-89668ff1-6
0.245
JOH-UNI-9dc98897-2
0.244
SAD-SAT-f0a2747f-5
0.244
JOH-UNI-9dc98897-6
0.244
WAR-XCH-b72a1bbc-9
0.244
WAR-XCH-b72a1bbc-14
0.244
MAR-TRE-fd17a9b8-97
0.243
MAR-TRE-f5c2d31c-35
0.243
MAR-TRE-f5c2d31c-54
0.243
MAR-TRE-f5c2d31c-57
0.243
WIL-LEE-1f71e281-1
0.242
AHN-SAT-de2502ba-13
0.242
MAR-TRE-6a44bbf2-83
0.242
JOH-UNI-9dc98897-1
0.241
MAR-TRE-4b834d9a-64
0.239
JAN-GHE-fd8d85a5-12
0.238
MAR-TRE-f5c2d31c-12
0.238
MAR-TRE-6c5ef77a-25
0.237
NIM-UNI-310206f0-7
0.236
MAR-TRE-f5c2d31c-20
0.236
MAR-TRE-f5c2d31c-8
0.235
MAR-TRE-f5c2d31c-43
0.235
WAR-XCH-b72a1bbc-39
0.235
MAR-TRE-fd17a9b8-7
0.235
MAR-TRE-f5c2d31c-34
0.235
WAR-XCH-b6889685-53
0.235
JOH-UNI-abdb2f0c-4
0.234
MAR-TRE-f5c2d31c-70
0.234
MAR-TRE-fd17a9b8-49
0.234
MAR-TRE-f5c2d31c-19
0.233
MAR-TRE-f5c2d31c-38
0.233
MAR-TRE-f5c2d31c-81
0.233
MAK-UNK-be3f299e-7
0.232
AHN-SAT-de2502ba-12
0.231
MAR-TRE-6a44bbf2-20
0.231
SAD-SAT-65574d3f-8
0.231
SAD-SAT-f25ee457-9
0.231
MAR-TRE-f5c2d31c-25
0.230
MAR-TRE-c317dd82-96
0.230
MAR-TRE-f5c2d31c-63
0.229
MAR-TRE-f5c2d31c-83
0.229
WAR-XCH-b72a1bbc-45
0.229
MAK-UNK-1cb0e944-8
0.229
PET-SGC-6016d8e6-1
0.229
MAR-TRE-f5c2d31c-9
0.229
MAR-TRE-f5c2d31c-29
0.229
DAR-DIA-fb20be43-16
0.229
TAM-UNI-d1c3dd9f-1
0.229
PAT-GYR-359dbb24-3
0.228
WAR-XCH-b6889685-45
0.228
SAD-SAT-f0a2747f-7
0.228
MAR-TRE-3e4e6814-92
0.228
MAR-TRE-a9136c7b-65
0.227
JAR-KUA-672ec752-3
0.227
WAR-XCH-b72a1bbc-1
0.227
MAR-TRE-f5c2d31c-22
0.226
MAR-TRE-f5c2d31c-27
0.226
JOR-UNI-61e7b1d5-17
0.226
WAR-XCH-b6889685-27
0.226
KEI-TRE-d5e2018a-13
0.225