Molecular Properties | |
SMILES: | O=C(CCl)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)CC1 |
MW: | 495.2 |
Fraction sp3: | 0.67 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 78.0 |
cLogP: | 3.04 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
AAR-POS-0daf6b7e-6
SAD-SAT-9a6c5cf3-5
0.689
SAD-SAT-f2e2579e-5
0.685
SAD-SAT-f2e2579e-10
0.658
MAK-UNK-c74072e5-8
0.623
SAD-SAT-9a6c5cf3-2
0.613
SAD-SAT-9a6c5cf3-6
0.590
SAD-SAT-f2e2579e-3
0.570
SAD-SAT-f2e2579e-7
0.563
SAD-SAT-9a6c5cf3-7
0.529
SAD-SAT-9a6c5cf3-10
0.518
SAD-SAT-f2e2579e-6
0.518
SAD-SAT-f2e2579e-2
0.511
SAD-SAT-f2e2579e-9
0.500
SAD-SAT-f2e2579e-4
0.494
SAD-SAT-f2e2579e-8
0.489
MAK-UNK-7c9d1431-6
0.474
MAK-UNK-750cfbcc-3
0.471
MAR-TRE-6a44bbf2-79
0.471
AAR-POS-d2a4d1df-44
0.459
DRR-IMP-dff87f5e-3
0.459
SAD-SAT-9a6c5cf3-1
0.458
MAK-UNK-750cfbcc-5
0.457
AAR-POS-0daf6b7e-9
0.457
VIR-GIT-7b3d3065-2
0.457
AAR-POS-d2a4d1df-27
0.453
MAR-LAB-efb042c5-5
0.453
MAR-TRE-6a44bbf2-68
0.453
KAY-MCD-d0fe5261-1
0.453
MAR-TRE-6a44bbf2-58
0.453
DRR-IMP-dff87f5e-1
0.453
DRR-IMP-dff87f5e-7
0.453
MAR-TRE-6a44bbf2-78
0.447
MAK-UNK-7c9d1431-13
0.447
MAK-UNK-69bf97dd-9
0.443
SAD-SAT-9a6c5cf3-4
0.439
MAK-UNK-7c9d1431-22
0.438
MAK-UNK-7c9d1431-17
0.436
DRR-IMP-dff87f5e-6
0.436
DRR-IMP-dff87f5e-9
0.436
SAD-SAT-f2e2579e-1
0.434
MAR-TRE-6a44bbf2-21
0.427
MAK-UNK-7c9d1431-9
0.427
PEI-IMP-ca0b2813-2
0.416
BEN-DND-03406596-8
0.415
MAK-UNK-7c9d1431-10
0.412
JAY-UNK-11f5bdbd-1
0.410
BAP-BUY-55f8bcae-1
0.410
MAK-UNK-7c9d1431-3
0.405
DRR-IMP-dff87f5e-2
0.405
MAR-TRE-6a44bbf2-49
0.400
MAR-TRE-6a44bbf2-26
0.400
MAK-UNK-7c9d1431-7
0.400
MAR-TRE-6a44bbf2-31
0.400
MAK-UNK-7c9d1431-8
0.400
MAK-UNK-7c9d1431-5
0.400
MAK-UNK-704ed37c-1
0.400
MAK-UNK-7c9d1431-19
0.398
SAD-SAT-3a925b8b-2
0.397
MAR-TRE-6a44bbf2-32
0.395
ABB-MCD-f8003a30-1
0.395
MAK-UNK-7c9d1431-4
0.388
TAT-ENA-80bfd3e5-25
0.388
IND-SYN-6c8299e8-2
0.388
LON-WEI-8f408cad-4
0.388
AAR-POS-d2a4d1df-23
0.388
BEN-DND-03406596-10
0.388
MAR-TRE-6a44bbf2-18
0.388
PEI-IMP-ca0b2813-1
0.383
MAT-POS-ee51dedd-2
0.380
DRR-IMP-dff87f5e-8
0.378
MAK-UNK-69bf97dd-1
0.375
PEI-IMP-ca0b2813-3
0.372
DRR-IMP-dff87f5e-4
0.372
SAD-SAT-5b1897b2-9
0.371
MAR-TRE-6a44bbf2-36
0.371
MAK-UNK-7c9d1431-2
0.371
MED-COV-4280ac29-5
0.368
SAD-SAT-bc31ec01-5
0.367
MAR-TRE-6a44bbf2-65
0.365
TAT-ENA-80bfd3e5-43
0.365
MAK-UNK-7c9d1431-11
0.365
MAK-UNK-7c9d1431-1
0.364
MAR-TRE-6a44bbf2-38
0.364
MAR-TRE-6a44bbf2-66
0.362
MAK-UNK-d4768348-1
0.362
MAK-UNK-750cfbcc-4
0.362
AAR-POS-0daf6b7e-15
0.362
MAK-UNK-704ed37c-4
0.359
MAK-UNK-704ed37c-3
0.359
MAK-UNK-69bf97dd-5
0.357
BEN-DND-03406596-3
0.356
BEN-DND-76ad4ac9-14
0.356
MAK-UNK-704ed37c-7
0.354
DRR-IMP-11d47bff-1
0.351
MAK-UNK-d4768348-4
0.346
SAD-SAT-3a925b8b-9
0.346
SAD-SAT-bc31ec01-4
0.345
SAD-SAT-9a6c5cf3-3
0.343
MAK-UNK-7c9d1431-12
0.341
YOI-UNK-15f562e8-2
0.341