Molecular Properties | |
SMILES: | CC(C)NC(=O)C1CCN(C(=O)CS(C)(=O)=O)CC1 |
MW: | 290.385 |
Fraction sp3: | 0.83 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 83.55 |
cLogP: | -0.205799999999999 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
VIK-SYN-bf9c9ac8-4
0.667
VIK-SYN-9a3d118a-3
0.646
VIK-SYN-bf9c9ac8-3
0.407
MAK-UNK-750cfbcc-2
0.382
SAD-SAT-29425be4-13
0.365
SAD-SAT-29425be4-28
0.365
SAD-SAT-29425be4-12
0.346
MAR-TRE-a3327163-19
0.328
VIR-GIT-7b3d3065-3
0.328
AAR-POS-0daf6b7e-19
0.328
LON-WEI-120e5cf5-10
0.300
JAR-IMP-ed466bb3-20
0.300
MAK-UNK-69bf97dd-9
0.300
MAR-TRE-6c5ef77a-34
0.300
SAD-SAT-29425be4-15
0.299
MAR-TRE-3159af1a-84
0.298
SAD-SAT-1f400d17-4
0.296
GIA-UNK-995df016-7
0.295
SAD-SAT-29425be4-6
0.295
LON-WEI-120e5cf5-15
0.294
MAR-TRE-6a44bbf2-86
0.294
MAK-UNK-c97f7c8f-1
0.292
LON-WEI-120e5cf5-20
0.290
MAK-UNK-3d7e3904-2
0.289
VIK-SYN-9a3d118a-1
0.288
SAD-SAT-29425be4-25
0.287
JAG-SYN-9c2cd0bd-8
0.286
MAK-UNK-750cfbcc-1
0.286
LON-WEI-120e5cf5-3
0.284
MAK-UNK-c97f7c8f-2
0.284
MAK-UNK-750cfbcc-4
0.284
MAR-TRE-6a44bbf2-66
0.284
MAR-TRE-6a44bbf2-79
0.283
MAK-UNK-750cfbcc-3
0.283
MAK-UNK-69bf97dd-1
0.282
MAR-TRE-6a44bbf2-15
0.282
AAR-POS-0daf6b7e-6
0.282
MAK-UNK-69bf97dd-8
0.280
LON-WEI-120e5cf5-13
0.280
SAD-SAT-29425be4-19
0.278
LON-WEI-120e5cf5-21
0.276
MAK-UNK-3d7e3904-1
0.276
LON-WEI-120e5cf5-19
0.276
SAD-SAT-29425be4-14
0.276
AAR-POS-0daf6b7e-9
0.274
VIR-GIT-7b3d3065-2
0.274
MAK-UNK-750cfbcc-5
0.274
LON-WEI-120e5cf5-16
0.274
MAK-UNK-69bf97dd-7
0.274
AAR-POS-5507155c-2
0.273
LON-WEI-120e5cf5-1
0.273
AAR-POS-f650c5f2-4
0.273
LON-WEI-120e5cf5-17
0.273
GIA-UNK-5ec6c2b8-5
0.273
MAK-UNK-69bf97dd-10
0.273
SAD-SAT-29425be4-23
0.272
LON-WEI-120e5cf5-11
0.270
GIA-UNK-995df016-1
0.270
YOI-UNK-15f562e8-1
0.270
YOI-UNK-a533afbc-1
0.270
YOI-UNK-12211982-1
0.270
DAV-IMP-59dd6621-21
0.267
LON-WEI-120e5cf5-4
0.266
SAD-SAT-29425be4-20
0.266
MAK-UNK-69bf97dd-5
0.264
SAD-SAT-29425be4-3
0.259
SAD-SAT-9a6c5cf3-7
0.259
GIA-UNK-995df016-9
0.258
MAK-UNK-3d7e3904-3
0.256
SAD-SAT-29425be4-9
0.256
SAD-SAT-d8079f6f-4
0.255
MAK-UNK-704ed37c-2
0.254
YOI-UNK-15f562e8-5
0.254
MAK-UNK-69bf97dd-3
0.253
MAK-UNK-69bf97dd-4
0.253
LON-WEI-120e5cf5-7
0.250
GIA-UNK-995df016-6
0.250
MAK-UNK-704ed37c-6
0.250
MAK-UNK-69bf97dd-6
0.250
LON-WEI-120e5cf5-18
0.247
LON-WEI-120e5cf5-12
0.247
MAR-TRE-fd17a9b8-4
0.247
JAG-UCB-ef2c0e8e-6
0.247
JOH-IMS-cc7b4c67-3
0.247
BRU-LEF-cf996d6c-1
0.246
DRR-IMP-11d47bff-1
0.246
GIA-UNK-5ec6c2b8-2
0.246
JAG-SYN-9c2cd0bd-4
0.243
YOI-UNK-15f562e8-2
0.243
MAK-UNK-704ed37c-1
0.242
SAD-SAT-29425be4-29
0.241
LON-WEI-120e5cf5-14
0.241
MAK-UNK-69bf97dd-2
0.239
MAK-UNK-704ed37c-5
0.239
MAK-UNK-704ed37c-4
0.239
GIA-UNK-995df016-2
0.239
GIA-UNK-d2defdc3-3
0.239
MAK-UNK-704ed37c-3
0.239
LON-WEI-120e5cf5-9
0.239
MAK-UNK-a7992eb3-7
0.238