Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)C2=CC3OCOC3C=C2)CC1 |
MW: | 348.05 |
Fraction sp3: | 0.62 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 76.15 |
cLogP: | -0.11 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated double bonds (3)
Filter88_ene_sulfone
Hetero_hetero
SAD-SAT-bc31ec01-7
0.529
SAD-SAT-3a925b8b-9
0.478
MAK-UNK-d4768348-5
0.471
MAK-UNK-d4768348-7
0.464
MAK-UNK-c74072e5-8
0.457
MAK-UNK-d4768348-1
0.456
MAK-UNK-d4768348-8
0.449
MAK-UNK-d4768348-2
0.449
SAD-SAT-3a925b8b-3
0.449
DRR-IMP-dff87f5e-3
0.441
AAR-POS-d2a4d1df-44
0.441
DRR-IMP-dff87f5e-6
0.437
KAY-MCD-d0fe5261-1
0.435
AAR-POS-0daf6b7e-15
0.435
MAR-TRE-6a44bbf2-68
0.435
MAR-LAB-efb042c5-5
0.435
DRR-IMP-dff87f5e-1
0.435
DRR-IMP-dff87f5e-7
0.435
SAD-SAT-3a925b8b-2
0.435
MAR-TRE-6a44bbf2-58
0.435
AAR-POS-d2a4d1df-27
0.435
MAK-UNK-d4768348-9
0.432
MAK-UNK-7c9d1431-13
0.429
MAR-TRE-6a44bbf2-78
0.429
MAR-TRE-6a44bbf2-21
0.426
MAK-UNK-7c9d1431-9
0.426
SAD-SAT-bc31ec01-5
0.420
MAK-UNK-7c9d1431-17
0.417
MAK-UNK-7c9d1431-6
0.417
DRR-IMP-dff87f5e-9
0.417
AAR-POS-d2a4d1df-22
0.414
LON-WEI-8f408cad-3
0.414
PEI-IMP-ca0b2813-2
0.414
MAT-POS-ee51dedd-2
0.414
MAR-TRE-6a44bbf2-52
0.414
BEN-DND-03406596-8
0.413
MAR-TRE-6a44bbf2-32
0.411
ABB-MCD-f8003a30-1
0.411
SAD-SAT-3a925b8b-7
0.411
SAD-SAT-3a925b8b-6
0.408
JAY-UNK-11f5bdbd-1
0.408
DRR-IMP-dff87f5e-4
0.406
LON-WEI-8f408cad-4
0.403
AAR-POS-d2a4d1df-23
0.403
BEN-DND-03406596-10
0.403
MAR-TRE-6a44bbf2-18
0.403
MAK-UNK-7c9d1431-22
0.400
MAR-TRE-6a44bbf2-26
0.397
MAK-UNK-7c9d1431-8
0.397
PEI-IMP-ca0b2813-1
0.397
MAK-UNK-d4768348-4
0.394
DRR-IMP-db50bf6e-5
0.394
MAK-UNK-7c9d1431-10
0.392
SAD-SAT-bc31ec01-4
0.392
DRR-IMP-dff87f5e-8
0.392
BEN-DND-03406596-5
0.390
BEN-DND-76ad4ac9-13
0.390
BAP-BUY-55f8bcae-1
0.390
NIM-UNI-05f93fcc-1
0.389
MAR-TRE-6a44bbf2-4
0.389
AAR-POS-d2a4d1df-32
0.389
MAK-UNK-7c9d1431-12
0.389
LON-WEI-8f408cad-2
0.389
BEN-DND-03406596-3
0.385
DRR-IMP-dff87f5e-2
0.385
MAK-UNK-7c9d1431-3
0.385
BEN-DND-76ad4ac9-14
0.385
MAK-UNK-d4768348-3
0.384
MAR-TRE-6a44bbf2-24
0.384
MAR-TRE-6a44bbf2-36
0.383
MAK-UNK-7c9d1431-2
0.383
MAR-TRE-6a44bbf2-8
0.378
AAR-POS-d2a4d1df-34
0.378
DRR-IMP-dff87f5e-5
0.378
MAR-TRE-6a44bbf2-7
0.377
AAR-POS-d2a4d1df-37
0.377
MAR-TRE-6a44bbf2-65
0.377
TAT-ENA-80bfd3e5-43
0.377
MAK-UNK-7c9d1431-11
0.377
MAK-UNK-7c9d1431-19
0.377
MAR-TRE-6a44bbf2-38
0.375
MAK-UNK-7c9d1431-1
0.375
BEN-DND-03406596-2
0.372
BEN-DND-76ad4ac9-12
0.372
RHE-UNK-eb059eb9-1
0.368
AAR-POS-0daf6b7e-3
0.368
MAR-TRE-6a44bbf2-13
0.368
AAR-POS-d2a4d1df-36
0.368
WAR-XCH-79d12f6e-6
0.368
BEN-DND-76ad4ac9-11
0.367
IND-SYN-6c8299e8-2
0.367
PEI-IMP-ca0b2813-3
0.367
MAK-UNK-7c9d1431-4
0.367
BEN-DND-03406596-9
0.367
TAT-ENA-80bfd3e5-25
0.367
KAT-UNK-48001bce-1
0.365
KAT-MCD-525c981a-1
0.365
KAT-UNK-b2a0d5b1-1
0.364
MAK-UNK-7c9d1431-5
0.362
MAR-TRE-6a44bbf2-49
0.362