Molecular Properties | |
SMILES: | O=C(CCl)N1CCC(C(=O)N2CCNC2)CC1 |
MW: | 259.11 |
Fraction sp3: | 0.82 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 52.65 |
cLogP: | -0.15 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAR-TRE-6a44bbf2-79
0.596
MAK-UNK-750cfbcc-3
0.596
MAK-UNK-750cfbcc-5
0.571
VIR-GIT-7b3d3065-2
0.571
AAR-POS-0daf6b7e-9
0.571
MAK-UNK-704ed37c-7
0.547
MAK-UNK-704ed37c-4
0.528
MAK-UNK-704ed37c-5
0.528
MAK-UNK-704ed37c-3
0.528
MAK-UNK-704ed37c-6
0.509
MAR-TRE-6a44bbf2-66
0.500
MAK-UNK-750cfbcc-4
0.500
YOI-UNK-15f562e8-2
0.491
MAK-UNK-750cfbcc-1
0.489
MAK-UNK-750cfbcc-2
0.480
MAK-UNK-704ed37c-8
0.474
MAK-UNK-704ed37c-2
0.464
SAD-SAT-5b1897b2-9
0.449
MAK-UNK-704ed37c-9
0.448
SAD-SAT-f2e2579e-3
0.435
SAD-SAT-d8079f6f-4
0.426
SAD-SAT-f2e2579e-10
0.423
SAD-SAT-f2e2579e-5
0.420
AAR-POS-0daf6b7e-19
0.411
VIR-GIT-7b3d3065-3
0.411
SAD-SAT-9a6c5cf3-5
0.408
SAD-SAT-9a6c5cf3-10
0.403
SAD-SAT-9a6c5cf3-9
0.400
MAK-UNK-6c8f5f75-1
0.400
MAK-UNK-95198336-4
0.395
YOI-UNK-15f562e8-5
0.390
LON-WEI-120e5cf5-15
0.387
MAR-TRE-6a44bbf2-86
0.387
SAD-SAT-f2e2579e-6
0.387
SAD-SAT-9a6c5cf3-2
0.387
JAR-IMP-ed466bb3-20
0.382
SAD-SAT-f2e2579e-4
0.382
SAD-SAT-9a6c5cf3-7
0.382
LON-WEI-120e5cf5-20
0.381
MAK-UNK-4b073b5c-16
0.378
SAD-SAT-f2e2579e-8
0.377
SAD-SAT-1b030f84-9
0.372
SAD-SAT-f2e2579e-9
0.372
SAD-SAT-9a6c5cf3-6
0.372
WAR-XCH-b0339bbe-18
0.370
LON-WEI-120e5cf5-10
0.369
SAD-SAT-d8079f6f-5
0.362
SAD-SAT-d8079f6f-3
0.362
LON-WEI-120e5cf5-4
0.361
LON-WEI-120e5cf5-5
0.359
MAK-UNK-c97f7c8f-1
0.358
LON-WEI-120e5cf5-16
0.358
SAD-SAT-d8079f6f-6
0.354
BEN-DND-76ad4ac9-4
0.354
SAD-SAT-29425be4-26
0.354
SAD-SAT-f2e2579e-7
0.354
LON-WEI-120e5cf5-8
0.354
LON-WEI-120e5cf5-11
0.353
AAR-POS-0daf6b7e-6
0.348
MAR-TRE-6a44bbf2-15
0.348
MAK-UNK-c97f7c8f-2
0.348
LON-WEI-120e5cf5-13
0.343
SAD-SAT-29425be4-20
0.342
SAD-SAT-f2e2579e-2
0.341
MAK-UNK-95198336-3
0.341
LON-WEI-120e5cf5-19
0.338
LON-WEI-120e5cf5-21
0.338
SAD-SAT-9a6c5cf3-1
0.337
SAD-SAT-9a6c5cf3-3
0.333
SAD-SAT-9a6c5cf3-4
0.333
AAR-POS-5507155c-2
0.333
MAK-UNK-3d7e3904-3
0.333
LON-WEI-120e5cf5-17
0.333
LON-WEI-120e5cf5-1
0.333
AAR-POS-f650c5f2-4
0.333
SAD-SAT-f2e2579e-1
0.330
LON-WEI-120e5cf5-3
0.329
MAK-UNK-704ed37c-14
0.327
AAR-POS-0daf6b7e-21
0.327
YOI-UNK-12211982-2
0.324
SAD-SAT-29425be4-21
0.324
YOI-UNK-a533afbc-2
0.324
MAK-UNK-212f693e-10
0.323
MAK-UNK-704ed37c-12
0.321
MAK-UNK-f983951f-21
0.320
MAK-UNK-704ed37c-11
0.320
SAD-SAT-29425be4-28
0.320
SAD-SAT-bc31ec01-2
0.320
MAK-UNK-3d7e3904-1
0.319
SAD-SAT-29425be4-14
0.319
MAK-UNK-6ca90168-22
0.319
MAK-UNK-d4768348-6
0.318
AAR-POS-0daf6b7e-2
0.317
MAK-UNK-6ca90168-11
0.317
MAK-UNK-3d7e3904-2
0.315
MAK-UNK-704ed37c-10
0.315
SAD-SAT-29425be4-23
0.312
LON-WEI-120e5cf5-14
0.312
YOI-UNK-a533afbc-6
0.311
YOI-UNK-12211982-6
0.311