Molecular Properties | |
SMILES: | NC(=O)C1CCN(C(=O)CCl)CO1 |
MW: | 206.05 |
Fraction sp3: | 0.71 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 72.63 |
cLogP: | -0.71 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
NIM-UNI-43fe0159-1
0.472
MAK-UNK-750cfbcc-1
0.465
SAD-SAT-6b5a89f0-2
0.463
NIM-UNI-43fe0159-2
0.455
NIM-UNI-43fe0159-3
0.453
NIM-UNI-43fe0159-5
0.444
NIM-UNI-43fe0159-4
0.436
MAK-UNK-704ed37c-14
0.435
NIM-UNI-43fe0159-6
0.429
MAK-UNK-704ed37c-17
0.417
NIM-UNI-43fe0159-9
0.414
NIM-UNI-43fe0159-7
0.414
NIM-UNI-43fe0159-10
0.410
NIM-UNI-43fe0159-11
0.400
SAD-SAT-d8079f6f-4
0.395
MAK-UNK-95198336-7
0.395
NIM-UNI-43fe0159-8
0.393
NIM-UNI-43fe0159-12
0.381
SAD-SAT-65574d3f-6
0.380
MAK-UNK-704ed37c-11
0.372
MAK-UNK-6c8f5f75-1
0.370
MAK-UNK-95198336-3
0.368
SAD-SAT-1b030f84-9
0.368
SAD-SAT-6b5a89f0-4
0.367
MAK-UNK-704ed37c-15
0.360
MAK-UNK-95198336-4
0.359
SAD-SAT-d8079f6f-5
0.357
SAD-SAT-d8079f6f-6
0.349
SAD-SAT-edc8a235-7
0.347
MAK-UNK-750cfbcc-5
0.346
MAK-UNK-704ed37c-3
0.345
MAK-UNK-4b073b5c-16
0.341
MAK-UNK-f983951f-21
0.341
MAK-UNK-750cfbcc-2
0.340
WAR-XCH-b0339bbe-18
0.340
MAK-UNK-704ed37c-7
0.339
MAR-TRE-6a44bbf2-79
0.333
MAK-UNK-750cfbcc-3
0.333
SAD-SAT-5b1897b2-9
0.333
SAD-SAT-3a925b8b-9
0.328
MAK-UNK-704ed37c-8
0.328
SAD-SAT-d8079f6f-3
0.326
MAK-UNK-95198336-6
0.325
MAK-UNK-704ed37c-5
0.321
AAR-POS-0daf6b7e-9
0.321
VIR-GIT-7b3d3065-2
0.321
ASH-UNK-e28bb067-5
0.319
AAR-POS-0daf6b7e-21
0.318
MAK-UNK-95198336-5
0.317
MAK-UNK-704ed37c-2
0.316
SAD-SAT-d8079f6f-2
0.314
MAK-UNK-c97f7c8f-1
0.312
MAK-UNK-c74072e5-8
0.311
MAK-UNK-d4768348-6
0.311
SAD-SAT-bc31ec01-2
0.311
MAK-UNK-704ed37c-6
0.310
MAK-UNK-6ca90168-11
0.310
MAK-UNK-95198336-8
0.310
AAR-POS-0daf6b7e-19
0.309
VIR-GIT-7b3d3065-3
0.309
DUN-NEW-f8ce3686-3
0.309
SAD-SAT-1b030f84-8
0.306
MAK-UNK-704ed37c-9
0.305
MAK-UNK-4b073b5c-17
0.304
MAK-UNK-52a1ef4b-3
0.304
MAK-UNK-704ed37c-1
0.304
BEN-DND-76ad4ac9-7
0.302
YOI-UNK-15f562e8-2
0.300
MAK-UNK-212f693e-32
0.300
MAK-UNK-d4768348-2
0.300
AAR-POS-0daf6b7e-5
0.300
MAK-UNK-d4768348-8
0.300
MAK-UNK-704ed37c-4
0.298
MAK-UNK-95198336-9
0.298
MAK-UNK-4b073b5c-22
0.298
MAK-UNK-6c8f5f75-2
0.296
JOH-UNI-e19b918c-10
0.296
MAK-UNK-95198336-11
0.295
MAK-UNK-212f693e-13
0.295
LON-WEI-120e5cf5-15
0.295
JOH-UNI-e19b918c-12
0.295
MAR-TRE-6a44bbf2-86
0.295
MAK-UNK-212f693e-10
0.295
MAK-UNK-d4768348-7
0.295
SAD-SAT-edc8a235-3
0.294
MAK-UNK-704ed37c-13
0.294
SAD-SAT-bc31ec01-8
0.294
VIK-SYN-bf9c9ac8-2
0.294
SAD-SAT-65574d3f-5
0.294
DAN-PUR-3907f623-1
0.293
YOI-UNK-15f562e8-5
0.293
MAR-TRE-6a44bbf2-9
0.292
MAK-UNK-987948f6-5
0.292
SAD-SAT-edc8a235-10
0.292
MAK-UNK-6ca90168-16
0.292
MAK-UNK-987948f6-2
0.291
MAK-UNK-987948f6-15
0.290
LON-WEI-120e5cf5-20
0.290
GIA-UNK-a79af1bc-1
0.290
LON-WEI-120e5cf5-5
0.290