Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2)CC1 |
MW: | 302.05 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 0.76 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-08172 |
Enamine SCR: | Z56943591 |
Enamine REAL: | Z56943591 |
Mcule: | MCULE-7671687983 |
MolPort: | MolPort-002-465-804 |
Hetero_hetero
MAR-TRE-6a44bbf2-21
1.000
AAR-POS-d2a4d1df-44
0.667
MAR-LAB-efb042c5-5
0.654
AAR-POS-d2a4d1df-27
0.654
KAY-MCD-d0fe5261-1
0.654
PEI-IMP-ca0b2813-2
0.654
MAR-TRE-6a44bbf2-68
0.654
MAR-TRE-6a44bbf2-58
0.654
MAK-UNK-7c9d1431-13
0.642
MAR-TRE-6a44bbf2-78
0.642
MAR-TRE-6a44bbf2-18
0.630
LON-WEI-8f408cad-4
0.630
AAR-POS-d2a4d1df-23
0.630
SAD-SAT-3a925b8b-2
0.623
MAK-UNK-c74072e5-8
0.618
PEI-IMP-ca0b2813-1
0.618
MAK-UNK-7c9d1431-6
0.618
MAK-UNK-7c9d1431-17
0.618
MAT-POS-ee51dedd-2
0.593
MAK-UNK-7c9d1431-22
0.586
MAK-UNK-7c9d1431-3
0.583
MAK-UNK-7c9d1431-11
0.576
MAR-TRE-6a44bbf2-65
0.576
TAT-ENA-80bfd3e5-43
0.576
SAD-SAT-bc31ec01-5
0.574
MAK-UNK-7c9d1431-8
0.561
MAR-TRE-6a44bbf2-26
0.561
IND-SYN-6c8299e8-2
0.557
PEI-IMP-ca0b2813-3
0.557
TAT-ENA-80bfd3e5-25
0.557
MAK-UNK-7c9d1431-4
0.557
MAK-UNK-7c9d1431-12
0.554
MAK-UNK-7c9d1431-10
0.552
MAR-TRE-6a44bbf2-32
0.552
ABB-MCD-f8003a30-1
0.552
MAR-TRE-6a44bbf2-52
0.536
LON-WEI-8f408cad-3
0.536
MAK-UNK-d4768348-4
0.536
AAR-POS-d2a4d1df-22
0.536
AAR-POS-d2a4d1df-34
0.534
MAR-TRE-6a44bbf2-8
0.534
BEN-DND-76ad4ac9-14
0.532
MAR-TRE-6a44bbf2-4
0.526
LON-WEI-8f408cad-2
0.526
SAD-SAT-3a925b8b-3
0.526
MAR-TRE-6a44bbf2-28
0.526
AAR-POS-d2a4d1df-32
0.526
MAK-UNK-7c9d1431-23
0.526
SAD-SAT-bc31ec01-4
0.525
MAK-UNK-7c9d1431-19
0.525
NIM-UNI-05f93fcc-2
0.516
MAK-UNK-d4768348-1
0.509
SAD-SAT-3a925b8b-9
0.509
AAR-POS-0daf6b7e-15
0.509
MAK-UNK-7c9d1431-27
0.508
MED-COV-4280ac29-5
0.507
MAR-TRE-6a44bbf2-7
0.500
MAK-UNK-7c9d1431-5
0.500
MAK-UNK-d4768348-5
0.500
NIM-UNI-05f93fcc-1
0.500
MAK-UNK-7c9d1431-7
0.500
AAR-POS-d2a4d1df-37
0.500
MAK-UNK-d4768348-8
0.500
MAR-TRE-6a44bbf2-31
0.500
MAR-TRE-6a44bbf2-49
0.500
MAR-TRE-6a44bbf2-38
0.492
MAK-UNK-7c9d1431-1
0.492
MAK-UNK-d4768348-7
0.492
BEN-DND-76ad4ac9-11
0.484
GIA-UNK-5ec6c2b8-4
0.481
MAK-UNK-7c9d1431-2
0.478
MAR-TRE-6a44bbf2-36
0.478
SAD-SAT-3a925b8b-6
0.475
MAK-UNK-d4768348-2
0.475
SAD-SAT-f2e2579e-5
0.471
BEN-DND-76ad4ac9-12
0.469
BEN-DND-76ad4ac9-13
0.469
AAR-POS-d2a4d1df-36
0.468
AAR-POS-0daf6b7e-3
0.468
MAR-TRE-6a44bbf2-13
0.468
WAR-XCH-79d12f6e-6
0.468
SWA-SYN-6423ea73-2
0.468
SWA-SYN-d2e6fa14-2
0.468
MAK-UNK-d4768348-3
0.467
DAN-MCD-50ec7d1f-1
0.467
SAD-SAT-9a6c5cf3-5
0.457
NIM-UNI-05f93fcc-3
0.456
MAR-TRE-6a44bbf2-45
0.455
MAK-UNK-7c9d1431-24
0.455
MAK-UNK-7c9d1431-30
0.455
MAK-UNK-987948f6-2
0.455
MAK-UNK-d4768348-9
0.453
NAU-LAT-f723e322-5
0.452
SAD-SAT-3a925b8b-7
0.452
SAD-SAT-f2e2579e-10
0.451
SIM-SYN-a98e6a07-1
0.449
BEN-DND-76ad4ac9-9
0.446
MAR-TRE-6a44bbf2-24
0.443
SIM-SYN-f15aaa3a-1
0.439
PEI-IMP-ca0b2813-4
0.437