Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 |
MW: | 360.05 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 76.15 |
cLogP: | 0.53 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-22575 |
Enamine SCR: | Z147647370 |
Enamine REAL: | Z235342007 |
Mcule: | MCULE-3661296906 |
MolPort: | MolPort-002-505-234 |
Hetero_hetero
MAR-TRE-6a44bbf2-38
1.000
MAR-TRE-6a44bbf2-36
0.836
MAK-UNK-7c9d1431-2
0.836
SAD-SAT-f2e2579e-2
0.675
SAD-SAT-f2e2579e-7
0.636
MAK-UNK-69bf97dd-2
0.588
JAY-UNK-11f5bdbd-1
0.587
MAK-UNK-7c9d1431-8
0.569
MAR-TRE-6a44bbf2-26
0.569
MAR-TRE-6a44bbf2-32
0.537
ABB-MCD-f8003a30-1
0.537
MAK-UNK-7c9d1431-10
0.537
MAR-TRE-6a44bbf2-18
0.530
LON-WEI-8f408cad-4
0.530
BEN-DND-03406596-10
0.530
AAR-POS-d2a4d1df-23
0.530
MAR-TRE-6a44bbf2-58
0.523
KAY-MCD-d0fe5261-1
0.523
DRR-IMP-dff87f5e-1
0.523
MAK-UNK-7c9d1431-16
0.522
MAR-TRE-6a44bbf2-54
0.522
MAK-UNK-7c9d1431-4
0.521
TAT-ENA-80bfd3e5-25
0.521
MAR-LAB-ff9967db-22
0.518
DRR-IMP-dff87f5e-8
0.515
MAK-UNK-7c9d1431-19
0.514
AAR-POS-d2a4d1df-44
0.508
DRR-IMP-dff87f5e-3
0.508
MAK-UNK-7c9d1431-3
0.500
MAR-TRE-6a44bbf2-68
0.500
IND-SYN-6c8299e8-2
0.500
AAR-POS-d2a4d1df-27
0.500
MAR-LAB-efb042c5-5
0.500
DRR-IMP-dff87f5e-2
0.500
DRR-IMP-dff87f5e-7
0.500
DRR-IMP-dff87f5e-9
0.500
SAD-SAT-3a925b8b-2
0.500
MAK-UNK-7c9d1431-17
0.500
MAK-UNK-7c9d1431-5
0.493
MAK-UNK-7c9d1431-7
0.493
MAR-TRE-6a44bbf2-49
0.493
MAR-TRE-6a44bbf2-31
0.493
MAK-UNK-7c9d1431-11
0.493
MAR-TRE-6a44bbf2-65
0.493
TAT-ENA-80bfd3e5-43
0.493
MAR-TRE-6a44bbf2-78
0.493
MAK-UNK-7c9d1431-13
0.493
MAR-TRE-6a44bbf2-21
0.492
MAK-UNK-7c9d1431-9
0.492
SAD-SAT-bc31ec01-5
0.485
PEI-IMP-ca0b2813-3
0.479
MAK-UNK-7c9d1431-22
0.479
MAK-UNK-7c9d1431-6
0.478
MAK-UNK-c74072e5-8
0.478
DRR-IMP-dff87f5e-6
0.478
MAT-POS-ee51dedd-2
0.478
PEI-IMP-ca0b2813-2
0.478
BEN-DND-76ad4ac9-14
0.459
BEN-DND-03406596-3
0.459
PEI-IMP-ca0b2813-1
0.457
BEN-DND-03406596-8
0.452
SAD-SAT-bc31ec01-4
0.451
SAD-SAT-3a925b8b-3
0.449
BAP-BUY-55f8bcae-1
0.446
DRR-IMP-db50bf6e-5
0.435
MAK-UNK-7c9d1431-30
0.434
MAR-TRE-6a44bbf2-45
0.434
MAK-UNK-c74072e5-9
0.429
DRR-IMP-dff87f5e-4
0.426
MAK-UNK-d4768348-7
0.423
DAV-UNK-07f953a2-3
0.421
MAK-UNK-d4768348-1
0.414
MAK-UNK-d4768348-4
0.414
MAR-TRE-6a44bbf2-52
0.414
AAR-POS-d2a4d1df-22
0.414
LON-WEI-8f408cad-3
0.414
AAR-POS-0daf6b7e-15
0.414
SAD-SAT-3a925b8b-9
0.414
LON-WEI-8f408cad-2
0.408
MAK-UNK-d4768348-5
0.408
MAR-TRE-6a44bbf2-4
0.408
AAR-POS-d2a4d1df-32
0.408
NIM-UNI-05f93fcc-1
0.408
MAK-UNK-7c9d1431-12
0.408
MAK-UNK-d4768348-8
0.408
PED-UNI-b79f0f51-2
0.406
AAR-POS-d2a4d1df-36
0.405
RHE-UNK-eb059eb9-1
0.405
AAR-POS-0daf6b7e-3
0.405
WAR-XCH-79d12f6e-6
0.405
MAR-TRE-6a44bbf2-13
0.405
MAK-UNK-d4768348-3
0.403
DAN-MCD-50ec7d1f-1
0.403
KAT-UNK-b2a0d5b1-1
0.400
MAR-TRE-6a44bbf2-8
0.397
AAR-POS-d2a4d1df-34
0.397
DRR-IMP-dff87f5e-5
0.397
MAK-UNK-009ebe36-6
0.396
MED-COV-4280ac29-5
0.395
NIM-UNI-310206f0-68
0.393