Molecular Properties | |
SMILES: | NCc1ccc(C2CCN(C(=O)CCl)CO2)cc1 |
MW: | 268.744 |
Fraction sp3: | 0.46 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 55.56 |
cLogP: | 1.6316 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-33
NIM-UNI-43fe0159-4
0.755
NIM-UNI-43fe0159-6
0.741
NIM-UNI-43fe0159-1
0.704
NIM-UNI-43fe0159-10
0.695
NIM-UNI-43fe0159-3
0.685
NIM-UNI-43fe0159-8
0.678
NIM-UNI-43fe0159-5
0.673
NIM-UNI-43fe0159-12
0.656
NIM-UNI-43fe0159-7
0.627
NIM-UNI-43fe0159-9
0.627
NIM-UNI-43fe0159-11
0.607
MAK-UNK-704ed37c-16
0.455
JOK-SYG-8934678c-1
0.403
SAD-SAT-6b5a89f0-2
0.345
MAR-TRE-6a44bbf2-39
0.338
AAR-POS-d2a4d1df-33
0.338
MAR-TRE-6a44bbf2-86
0.329
LON-WEI-120e5cf5-15
0.329
MAK-UNK-750cfbcc-1
0.328
MAK-UNK-6c8f5f75-1
0.328
MAK-UNK-c97f7c8f-1
0.324
MAK-UNK-c74072e5-8
0.324
LON-WEI-120e5cf5-20
0.324
SAD-SAT-d8079f6f-4
0.321
MAK-UNK-c97f7c8f-2
0.316
MAK-UNK-af83ef51-6
0.315
LON-WEI-120e5cf5-10
0.315
MAK-UNK-212f693e-32
0.314
MAK-UNK-704ed37c-14
0.311
MAK-UNK-212f693e-10
0.310
LON-WEI-120e5cf5-19
0.308
MAR-TRE-6a44bbf2-9
0.307
MAK-UNK-6ca90168-14
0.304
DRR-IMP-38dce17f-7
0.304
DRR-IMP-38dce17f-5
0.304
MAK-UNK-6ca90168-11
0.304
MAK-UNK-704ed37c-11
0.304
MAK-UNK-f983951f-21
0.304
MAK-UNK-7c9d1431-29
0.303
LON-WEI-120e5cf5-11
0.303
BEN-DND-76ad4ac9-4
0.301
MAK-UNK-10dfa458-40
0.299
MAR-TRE-6a44bbf2-53
0.299
MAK-UNK-7c9d1431-25
0.299
MAR-TRE-6a44bbf2-61
0.299
AAR-POS-d2a4d1df-29
0.299
AAR-POS-0daf6b7e-6
0.297
MAK-UNK-212f693e-11
0.297
BEN-DND-76ad4ac9-7
0.297
MAR-TRE-6a44bbf2-15
0.297
AAR-POS-0daf6b7e-5
0.296
MAK-UNK-704ed37c-3
0.294
SAD-SAT-1b030f84-9
0.294
SAD-SAT-29425be4-11
0.294
MAR-TRE-6a44bbf2-54
0.293
MAK-UNK-7c9d1431-16
0.293
NIR-THE-0d6461ce-1
0.293
MAK-UNK-750cfbcc-5
0.292
MAK-UNK-212f693e-13
0.292
MAK-UNK-d4768348-7
0.292
SAD-SAT-bc31ec01-8
0.291
LON-WEI-120e5cf5-21
0.291
SAD-SAT-d8079f6f-5
0.291
SAD-SAT-edc8a235-7
0.290
DRR-IMP-38dce17f-1
0.290
MAK-UNK-704ed37c-7
0.290
LON-WEI-120e5cf5-16
0.289
MAK-UNK-95198336-7
0.288
MAK-UNK-95198336-4
0.288
MAK-UNK-987948f6-5
0.288
DRR-IMP-38dce17f-3
0.288
MAK-UNK-7c9d1431-24
0.288
LON-WEI-120e5cf5-5
0.288
MAK-UNK-987948f6-15
0.288
MAK-UNK-d4768348-6
0.288
AAR-POS-f650c5f2-4
0.287
MAK-UNK-3d7e3904-3
0.287
LON-WEI-120e5cf5-1
0.287
LON-WEI-120e5cf5-17
0.287
AAR-POS-5507155c-2
0.287
LON-WEI-120e5cf5-2
0.287
SAD-SAT-6b5a89f0-4
0.286
SAD-SAT-d8079f6f-6
0.286
MAK-UNK-750cfbcc-2
0.286
NIR-THE-0d6461ce-4
0.286
WAR-XCH-b0339bbe-18
0.286
AAR-POS-0daf6b7e-2
0.286
MAK-UNK-69bf97dd-9
0.282
NIR-THE-0d6461ce-12
0.282
WAR-XCH-bdd24732-32
0.282
VIK-SYN-9a3d118a-8
0.282
LON-WEI-120e5cf5-3
0.282
HYO-UNK-49a60884-1
0.282
MAK-UNK-704ed37c-8
0.282
MAK-UNK-704ed37c-9
0.282
AAR-POS-d2a4d1df-35
0.282
MED-COV-4280ac29-15
0.282
JOH-UNI-0e1753c1-3
0.282
MAK-UNK-750cfbcc-3
0.281
MAK-UNK-704ed37c-17
0.281