Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 |
MW: | 374.07 |
Fraction sp3: | 0.53 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 76.15 |
cLogP: | 0.92 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-22949 |
Enamine SCR: | Z147647740 |
Mcule: | MCULE-4362006475 |
MolPort: | MolPort-002-470-598 |
Hetero_hetero
MAK-UNK-7c9d1431-2
1.000
MAK-UNK-7c9d1431-1
0.836
MAR-TRE-6a44bbf2-38
0.836
SAD-SAT-f2e2579e-7
0.753
SAD-SAT-f2e2579e-2
0.617
JAY-UNK-11f5bdbd-1
0.569
MAK-UNK-7c9d1431-8
0.552
MAR-TRE-6a44bbf2-26
0.552
ABB-MCD-f8003a30-1
0.522
MAR-TRE-6a44bbf2-32
0.522
MAK-UNK-7c9d1431-10
0.522
MAR-TRE-6a44bbf2-18
0.515
BEN-DND-03406596-10
0.515
LON-WEI-8f408cad-4
0.515
AAR-POS-d2a4d1df-23
0.515
MAR-TRE-6a44bbf2-58
0.507
KAY-MCD-d0fe5261-1
0.507
DRR-IMP-dff87f5e-1
0.507
IND-SYN-6c8299e8-2
0.507
MAK-UNK-7c9d1431-7
0.500
MAR-TRE-6a44bbf2-49
0.500
MAK-UNK-7c9d1431-5
0.500
MAK-UNK-7c9d1431-19
0.500
MAK-UNK-69bf97dd-2
0.500
DRR-IMP-dff87f5e-8
0.500
MAR-TRE-6a44bbf2-31
0.500
AAR-POS-d2a4d1df-44
0.493
DRR-IMP-dff87f5e-3
0.493
BEN-DND-76ad4ac9-14
0.486
MAK-UNK-7c9d1431-4
0.486
DRR-IMP-dff87f5e-2
0.486
MAK-UNK-7c9d1431-3
0.486
BEN-DND-03406596-3
0.486
TAT-ENA-80bfd3e5-25
0.486
DRR-IMP-dff87f5e-9
0.486
MAK-UNK-7c9d1431-17
0.486
MAR-TRE-6a44bbf2-68
0.485
AAR-POS-d2a4d1df-27
0.485
MAR-LAB-efb042c5-5
0.485
DRR-IMP-dff87f5e-7
0.485
SAD-SAT-3a925b8b-2
0.485
BEN-DND-03406596-8
0.479
MAR-TRE-6a44bbf2-65
0.479
MAK-UNK-7c9d1431-11
0.479
TAT-ENA-80bfd3e5-43
0.479
MAR-TRE-6a44bbf2-78
0.478
MAK-UNK-7c9d1431-13
0.478
MAR-TRE-6a44bbf2-21
0.478
MAK-UNK-7c9d1431-9
0.478
SAD-SAT-bc31ec01-5
0.471
PEI-IMP-ca0b2813-3
0.467
MAK-UNK-7c9d1431-22
0.466
MAK-UNK-7c9d1431-6
0.465
DRR-IMP-dff87f5e-6
0.465
MAK-UNK-c74072e5-8
0.465
MAT-POS-ee51dedd-2
0.464
PEI-IMP-ca0b2813-2
0.464
MAR-TRE-2fd8122f-33
0.461
SAD-SAT-3a925b8b-3
0.457
BAP-BUY-55f8bcae-1
0.453
PEI-IMP-ca0b2813-1
0.444
SAD-SAT-bc31ec01-4
0.438
MAR-LAB-ff9967db-22
0.438
MAK-UNK-7c9d1431-16
0.427
MAR-TRE-6a44bbf2-54
0.427
MAK-UNK-7c9d1431-30
0.423
MAR-TRE-6a44bbf2-45
0.423
DRR-IMP-db50bf6e-5
0.423
MAK-UNK-c74072e5-9
0.419
DRR-IMP-dff87f5e-4
0.414
DAV-UNK-07f953a2-3
0.412
DAN-MCD-50ec7d1f-1
0.411
MAK-UNK-d4768348-7
0.411
MAK-UNK-d4768348-1
0.403
MAK-UNK-d4768348-4
0.403
MAR-TRE-6a44bbf2-52
0.403
AAR-POS-d2a4d1df-22
0.403
LON-WEI-8f408cad-3
0.403
AAR-POS-0daf6b7e-15
0.403
SAD-SAT-3a925b8b-9
0.403
PED-UNI-b79f0f51-2
0.398
MAR-TRE-6a44bbf2-4
0.397
MAK-UNK-d4768348-5
0.397
AAR-POS-d2a4d1df-32
0.397
NIM-UNI-05f93fcc-1
0.397
MAK-UNK-7c9d1431-12
0.397
MAK-UNK-d4768348-8
0.397
LON-WEI-8f408cad-2
0.397
MAR-TRE-6a44bbf2-14
0.395
WAR-XCH-79d12f6e-6
0.395
MAR-TRE-6a44bbf2-13
0.395
AAR-POS-d2a4d1df-36
0.395
RHE-UNK-eb059eb9-1
0.395
AAR-POS-0daf6b7e-3
0.395
SAD-SAT-9a6c5cf3-6
0.393
MAK-UNK-d4768348-3
0.392
KAT-UNK-b2a0d5b1-1
0.390
MAK-UNK-7c9d1431-18
0.388
MAR-TRE-6a44bbf2-8
0.387
AAR-POS-d2a4d1df-34
0.387