Molecule Details
| Molecular Properties | |
| SMILES: | NC(=O)C1CCN(C(=O)CCl)CN1 |
| MW: | 205.06 |
| Fraction sp3: | 0.71 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 2 |
| TPSA: | 75.43 |
| cLogP: | -1.14 |
| Covalent Warhead: | ✔️ |
| Covalent Fragment: | ✔️ |
MAK-UNK-750cfbcc-1
0.465
MAK-UNK-704ed37c-16
0.435
MAK-UNK-704ed37c-17
0.417
SAD-SAT-d8079f6f-4
0.395
MAK-UNK-95198336-4
0.395
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
MAK-UNK-212f693e-11
0.367
MAK-UNK-95198336-7
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-4b073b5c-16
0.341
SAD-SAT-bc31ec01-2
0.341
MAK-UNK-750cfbcc-2
0.340
WAR-XCH-b0339bbe-18
0.340
SAD-SAT-5b1897b2-9
0.333
MAK-UNK-704ed37c-15
0.333
MAR-TRE-6a44bbf2-79
0.333
MAK-UNK-750cfbcc-3
0.333
MAK-UNK-704ed37c-1
0.327
SAD-SAT-d8079f6f-3
0.326
MAK-UNK-95198336-6
0.325
NIM-UNI-43fe0159-1
0.322
MAK-UNK-704ed37c-5
0.321
VIR-GIT-7b3d3065-2
0.321
AAR-POS-0daf6b7e-9
0.321
MAK-UNK-704ed37c-13
0.320
VIK-SYN-bf9c9ac8-2
0.320
SAD-SAT-edc8a235-10
0.319
AAR-POS-0daf6b7e-21
0.318
MAK-UNK-704ed37c-7
0.316
NIM-UNI-43fe0159-2
0.311
MAK-UNK-f983951f-21
0.311
MAK-UNK-704ed37c-6
0.310
MAK-UNK-95198336-8
0.310
AAR-POS-0daf6b7e-19
0.309
VIR-GIT-7b3d3065-3
0.309
MAK-UNK-704ed37c-10
0.306
SAD-SAT-1b030f84-8
0.306
MAK-UNK-704ed37c-8
0.305
NIM-UNI-43fe0159-3
0.305
MAK-UNK-4b073b5c-17
0.304
SAD-SAT-6b5a89f0-2
0.304
NIM-UNI-43fe0159-5
0.300
YOI-UNK-15f562e8-2
0.300
MAK-UNK-704ed37c-4
0.298
MAK-UNK-704ed37c-3
0.298
MAK-UNK-95198336-9
0.298
MAK-UNK-6c8f5f75-2
0.296
MAK-UNK-95198336-11
0.295
NIM-UNI-43fe0159-4
0.295
KAT-UNK-c8a6cb16-1
0.293
DAN-PUR-3907f623-1
0.293
MAK-UNK-704ed37c-2
0.293
YOI-UNK-15f562e8-5
0.293
MAK-UNK-6ca90168-16
0.292
MAK-UNK-987948f6-5
0.292
NIM-UNI-43fe0159-6
0.290
MAK-UNK-6ca90168-11
0.288
SAD-SAT-5b1897b2-6
0.286
MAK-UNK-6ca90168-17
0.286
MAK-UNK-95198336-5
0.286
MAK-UNK-704ed37c-12
0.286
MAK-UNK-e4a48a85-13
0.286
MAK-UNK-6ca90168-18
0.286
DRR-IMP-11d47bff-1
0.286
NIM-UNI-43fe0159-10
0.284
MAR-TRE-6a44bbf2-66
0.283
MAK-UNK-704ed37c-9
0.283
MAK-UNK-750cfbcc-4
0.283
NIM-UNI-43fe0159-7
0.281
NIR-THE-0d6461ce-8
0.281
NIM-UNI-43fe0159-9
0.281
MAK-UNK-987948f6-4
0.280
MAK-UNK-212f693e-32
0.279
AAR-POS-0daf6b7e-5
0.279
MAK-UNK-f983951f-27
0.275
TOB-UNK-c2aba166-1
0.275
MAR-TRE-6a44bbf2-86
0.274
LON-WEI-120e5cf5-15
0.274
MAK-UNK-212f693e-10
0.274
MAK-UNK-212f693e-13
0.274
NIM-UNI-43fe0159-11
0.273
DUN-NEW-f8ce3686-3
0.271
MAK-UNK-6ca90168-10
0.271
GIA-UNK-a79af1bc-1
0.270
MAK-UNK-d4768348-6
0.270
LON-WEI-120e5cf5-5
0.270
LON-WEI-120e5cf5-20
0.270
MAK-UNK-987948f6-15
0.270
YOI-UNK-15f562e8-4
0.269
SAD-SAT-edc8a235-3
0.269
SAD-SAT-65574d3f-5
0.269
VIK-SYN-bf9c9ac8-1
0.269
NIM-UNI-43fe0159-8
0.269