Molecular Properties | |
SMILES: | CC(=O)Nc1cccc(N2CCCC2CO)c1 |
MW: | 234.14 |
Fraction sp3: | 0.46 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 52.57 |
cLogP: | 1.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-c8c8f7e2-26
0.627
MAK-UNK-7a704a63-13
0.627
MAK-UNK-7a704a63-12
0.627
MAK-UNK-c8c8f7e2-21
0.607
MAK-UNK-c8c8f7e2-28
0.578
MAK-UNK-7a704a63-14
0.578
MAK-UNK-c8c8f7e2-29
0.578
MAK-UNK-7a704a63-15
0.569
MAK-UNK-c8c8f7e2-24
0.507
MAK-UNK-c8c8f7e2-27
0.492
MAK-UNK-c8c8f7e2-22
0.464
MAK-UNK-6435e6c2-4
0.462
MAK-UNK-c8c8f7e2-23
0.457
MAK-UNK-c8c8f7e2-30
0.455
MAK-UNK-c8c8f7e2-42
0.441
MAK-UNK-c8c8f7e2-44
0.441
MAK-UNK-7a704a63-2
0.412
MAK-UNK-c8c8f7e2-14
0.412
MAK-UNK-c8c8f7e2-43
0.406
MAK-UNK-7a704a63-1
0.397
MAK-UNK-7a704a63-3
0.386
MAK-UNK-c8c8f7e2-13
0.386
MAK-UNK-c8c8f7e2-15
0.352
MAK-UNK-7a704a63-8
0.352
MAK-UNK-7a704a63-9
0.351
MAK-UNK-c8c8f7e2-17
0.342
MAK-UNK-c8c8f7e2-19
0.338
MAK-UNK-c8c8f7e2-16
0.338
AAR-POS-0daf6b7e-11
0.333
LON-WEI-8f408cad-1
0.333
MAK-UNK-7a704a63-10
0.333
SWA-SYN-6423ea73-9
0.329
SWA-SYN-d2e6fa14-10
0.329
IND-SYN-6c8299e8-8
0.329
MAK-UNK-1e8f9e3c-2
0.326
MAK-UNK-c8c8f7e2-18
0.321
SAD-SAT-24589cd1-2
0.316
MAK-UNK-10dfa458-3
0.316
MAK-UNK-10dfa458-22
0.316
WIL-LEE-23e8b574-8
0.312
MAK-UNK-1e8f9e3c-5
0.310
MAK-UNK-1e8f9e3c-1
0.307
MAK-UNK-9159f8ed-6
0.307
MAK-UNK-c8c8f7e2-40
0.297
MAK-UNK-7a704a63-17
0.297
MAK-UNK-1e8f9e3c-3
0.295
AHN-SAT-de2502ba-6
0.295
MAR-TRE-6a44bbf2-43
0.295
LON-WEI-120e5cf5-19
0.293
MAR-TRE-a9136c7b-57
0.291
AHN-SAT-de2502ba-5
0.287
MAK-UNK-9159f8ed-2
0.287
MAK-UNK-9159f8ed-5
0.287
SWA-SYN-6423ea73-8
0.284
SWA-SYN-d2e6fa14-8
0.284
MAK-UNK-1e8f9e3c-4
0.283
BAR-COM-4e090d3a-60
0.281
MAK-UNK-c8c8f7e2-10
0.280
MAR-TRE-87acfbcc-80
0.280
MAK-UNK-7a704a63-5
0.280
MAK-UNK-10dfa458-25
0.280
MAK-UNK-902cc841-3
0.280
MAK-UNK-9159f8ed-1
0.278
JAN-GHE-1d98ec1c-7
0.277
LON-WEI-b8d98729-4
0.277
BAR-COM-0f94fc3d-53
0.277
MAK-UNK-c8c8f7e2-39
0.276
MAK-UNK-7a704a63-16
0.276
MAK-UNK-c8c8f7e2-11
0.276
MAK-UNK-7a704a63-6
0.276
MAK-UNK-9159f8ed-4
0.276
AAR-UNI-c25c2f1e-87
0.275
MAK-UNK-902cc841-4
0.271
BAR-COM-4e090d3a-58
0.270
MAK-UNK-7a704a63-23
0.269
MAR-TRE-799db12b-65
0.267
RAL-MED-2de63afb-11
0.266
IND-SYN-6c8299e8-9
0.265
MAK-UNK-7a704a63-20
0.263
NIR-THE-0d6461ce-1
0.263
JOH-UNI-c7afdb96-7
0.263
WIL-UNI-5578df48-30
0.258
JOH-UNI-c7afdb96-6
0.256
RAL-MED-2de63afb-10
0.256
WIL-UNI-1faa9b10-23
0.256
BEN-DND-031a96cc-5
0.256
JOH-UNI-c7afdb96-8
0.253
RAL-MED-2de63afb-12
0.253
MAR-TRE-6a44bbf2-100
0.253
AHN-SAT-de2502ba-4
0.253
MAR-TRE-a9136c7b-42
0.253
MAR-TRE-6a44bbf2-10
0.253
MAK-UNK-9159f8ed-3
0.253
AAR-UNI-c25c2f1e-61
0.253
MAK-UNK-10dfa458-32
0.252
MAK-UNK-7a704a63-22
0.250
NIM-UNI-43fe0159-7
0.250
AAR-UNI-c25c2f1e-93
0.250
MAK-UNK-de8f6d00-2
0.248
MAR-TRE-2fd8122f-30
0.247