Molecular Properties | |
SMILES: | CC(=O)Nc1cccc(N2CCCC2OO)c1 |
MW: | 236.12 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 61.8 |
cLogP: | 2.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Oxygen-nitrogen single bond
Peroxides
43
peroxide
LON-WEI-8f408cad-3
MAK-UNK-c8c8f7e2-28
0.754
MAK-UNK-7a704a63-14
0.754
MAK-UNK-7a704a63-13
0.638
MAK-UNK-c8c8f7e2-26
0.638
MAK-UNK-7a704a63-12
0.638
MAK-UNK-c8c8f7e2-21
0.617
MAK-UNK-7a704a63-15
0.578
MAK-UNK-c8c8f7e2-25
0.578
MAK-UNK-c8c8f7e2-30
0.484
MAK-UNK-c8c8f7e2-27
0.455
MAK-UNK-c8c8f7e2-42
0.448
MAK-UNK-c8c8f7e2-44
0.448
MAK-UNK-6435e6c2-4
0.446
MAK-UNK-c8c8f7e2-23
0.443
MAK-UNK-c8c8f7e2-24
0.429
MAK-UNK-c8c8f7e2-22
0.429
MAK-UNK-7a704a63-2
0.418
MAK-UNK-c8c8f7e2-14
0.418
MAK-UNK-c8c8f7e2-43
0.412
MAK-UNK-7a704a63-1
0.403
MAK-UNK-7a704a63-3
0.391
MAK-UNK-c8c8f7e2-13
0.391
MAK-UNK-c8c8f7e2-19
0.362
SWA-SYN-d2e6fa14-10
0.351
SWA-SYN-6423ea73-9
0.351
IND-SYN-6c8299e8-8
0.351
MAK-UNK-c8c8f7e2-15
0.338
MAK-UNK-7a704a63-8
0.338
MAK-UNK-c8c8f7e2-16
0.324
LON-WEI-8f408cad-1
0.320
MAK-UNK-7a704a63-10
0.320
AAR-POS-0daf6b7e-11
0.320
MAK-UNK-7a704a63-9
0.320
MAK-UNK-10dfa458-22
0.320
MAK-UNK-c8c8f7e2-17
0.312
MAK-UNK-c8c8f7e2-18
0.308
SAD-SAT-24589cd1-2
0.304
MAK-UNK-10dfa458-3
0.303
WIL-LEE-23e8b574-8
0.300
LON-WEI-120e5cf5-19
0.296
MAR-TRE-a9136c7b-57
0.294
MAK-UNK-9159f8ed-2
0.290
MAK-UNK-7a704a63-23
0.289
SWA-SYN-d2e6fa14-8
0.287
SWA-SYN-6423ea73-8
0.287
MAK-UNK-1e8f9e3c-2
0.286
MAK-UNK-1e8f9e3c-5
0.284
MAK-UNK-1e8f9e3c-3
0.284
MAK-UNK-7a704a63-20
0.284
MAK-UNK-7a704a63-17
0.284
MAK-UNK-c8c8f7e2-10
0.284
MAK-UNK-c8c8f7e2-40
0.284
MAK-UNK-7a704a63-5
0.284
MAR-TRE-6a44bbf2-43
0.282
AHN-SAT-de2502ba-6
0.282
MAK-UNK-9159f8ed-6
0.281
MAK-UNK-1e8f9e3c-1
0.281
BAR-COM-0f94fc3d-53
0.280
MAK-UNK-9159f8ed-5
0.277
RAL-MED-2de63afb-10
0.275
AHN-SAT-de2502ba-5
0.275
MAR-TRE-a9136c7b-42
0.271
MAK-UNK-7a704a63-22
0.269
RAL-MED-2de63afb-11
0.269
MAK-UNK-902cc841-3
0.269
MAK-UNK-9159f8ed-1
0.268
JOH-UNI-c7afdb96-7
0.266
AAR-UNI-c25c2f1e-87
0.264
MAK-UNK-c8c8f7e2-39
0.263
MAK-UNK-7a704a63-6
0.263
MAK-UNK-7a704a63-16
0.263
MAK-UNK-c8c8f7e2-11
0.263
MAK-UNK-902cc841-4
0.260
JOH-UNI-c7afdb96-6
0.259
MAK-UNK-1e8f9e3c-4
0.258
JOH-UNI-c7afdb96-8
0.256
MAR-TRE-66ac689e-72
0.256
RAL-MED-2de63afb-12
0.256
MAK-UNK-9159f8ed-3
0.256
BAR-COM-4e090d3a-53
0.256
MAK-UNK-10dfa458-25
0.255
NIM-UNI-43fe0159-7
0.253
RAL-MED-2de63afb-9
0.253
IND-SYN-6c8299e8-9
0.253
AAR-UNI-c25c2f1e-93
0.253
MAK-UNK-9159f8ed-4
0.253
MAR-TRE-9d18ae8c-16
0.250
JAN-GHE-1d98ec1c-7
0.250
MAK-UNK-c8c8f7e2-1
0.250
LON-WEI-b8d98729-4
0.250
LON-WEI-120e5cf5-2
0.250
JAG-UCB-ef2c0e8e-2
0.250
DAN-PUR-19f24f0c-1
0.250
SAD-SAT-29425be4-8
0.247
BAR-COM-4e090d3a-20
0.247
BAR-COM-4e090d3a-58
0.244
MAR-TRE-799db12b-37
0.244
BEN-DND-031a96cc-5
0.244
AAR-POS-d2a4d1df-38
0.244
WIL-UNI-1faa9b10-23
0.244