Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 |
MW: | 370.78 |
Fraction sp3: | 0.46 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 1.7771 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine REAL: | Z1562119140 |
high halogen content (>3)
Hetero_hetero
AAR-POS-d2a4d1df-30
MAR-TRE-6a44bbf2-18
0.707
AAR-POS-d2a4d1df-23
0.707
BEN-DND-03406596-10
0.707
LON-WEI-8f408cad-4
0.707
DRR-IMP-dff87f5e-8
0.629
DRR-IMP-dff87f5e-6
0.613
TAT-ENA-80bfd3e5-25
0.606
MAK-UNK-7c9d1431-4
0.606
BEN-DND-76ad4ac9-14
0.606
BEN-DND-03406596-3
0.606
MAK-UNK-7c9d1431-11
0.600
TAT-ENA-80bfd3e5-43
0.600
MAR-TRE-6a44bbf2-65
0.600
PEI-IMP-ca0b2813-3
0.582
ABB-MCD-f8003a30-1
0.578
MAK-UNK-7c9d1431-10
0.578
MAR-TRE-6a44bbf2-32
0.578
MAK-UNK-7c9d1431-9
0.557
MAR-TRE-6a44bbf2-21
0.557
JAY-UNK-11f5bdbd-1
0.556
DAN-MCD-50ec7d1f-1
0.547
DRR-IMP-dff87f5e-1
0.540
KAY-MCD-d0fe5261-1
0.540
MAR-TRE-6a44bbf2-58
0.540
MAK-UNK-7c9d1431-8
0.538
MAR-TRE-6a44bbf2-26
0.538
PEI-IMP-ca0b2813-1
0.515
MAK-UNK-7c9d1431-3
0.514
DRR-IMP-dff87f5e-2
0.514
DRR-IMP-dff87f5e-4
0.508
AAR-POS-d2a4d1df-32
0.508
LON-WEI-8f408cad-2
0.508
MAR-TRE-6a44bbf2-4
0.508
MAK-UNK-7c9d1431-19
0.507
MAR-TRE-6a44bbf2-31
0.507
MAK-UNK-7c9d1431-5
0.507
MAK-UNK-7c9d1431-7
0.507
MAR-TRE-6a44bbf2-49
0.507
MAR-TRE-6a44bbf2-36
0.507
MAK-UNK-7c9d1431-2
0.507
DRR-IMP-dff87f5e-3
0.500
AAR-POS-d2a4d1df-44
0.500
MAR-TRE-6a44bbf2-38
0.500
MAK-UNK-7c9d1431-1
0.500
SAD-SAT-bc31ec01-5
0.500
DRR-IMP-dff87f5e-7
0.492
PEI-IMP-ca0b2813-2
0.492
MAR-LAB-efb042c5-5
0.492
MAR-TRE-6a44bbf2-68
0.492
AAR-POS-d2a4d1df-27
0.492
SAD-SAT-3a925b8b-2
0.492
MAT-POS-ee51dedd-2
0.492
NIL-NON-a189c016-1
0.485
MAT-POS-162a9720-2
0.485
MAR-TRE-6a44bbf2-78
0.485
MAK-UNK-7c9d1431-13
0.485
MAK-UNK-6435e6c2-5
0.484
KAT-UNK-b2a0d5b1-1
0.471
DRR-IMP-dff87f5e-9
0.471
MAK-UNK-7c9d1431-17
0.471
MAK-UNK-7c9d1431-6
0.471
AAR-POS-d2a4d1df-34
0.471
MAR-TRE-6a44bbf2-8
0.471
MAK-UNK-c74072e5-8
0.471
DRR-IMP-dff87f5e-5
0.471
NIM-UNI-05f93fcc-10
0.468
BEN-DND-03406596-8
0.465
KEN-MCD-6084b33e-1
0.465
SAD-SAT-bc31ec01-4
0.464
IND-SYN-6c8299e8-7
0.461
BEN-DND-03406596-2
0.458
BEN-DND-76ad4ac9-12
0.458
MAK-UNK-c74072e5-9
0.457
MAK-UNK-10dfa458-5
0.456
BEN-DND-03ad4429-3
0.456
DAN-MCD-5c762fbe-1
0.456
BEN-DND-76ad4ac9-6
0.456
MAK-UNK-7c9d1431-22
0.451
MAK-UNK-10dfa458-29
0.449
MAR-TRE-6a44bbf2-52
0.448
AAR-POS-d2a4d1df-22
0.448
LON-WEI-8f408cad-3
0.448
DRR-IMP-db50bf6e-5
0.448
BEN-DND-03ad4429-4
0.442
MAK-UNK-7c9d1431-12
0.441
BAP-BUY-55f8bcae-1
0.438
MAK-UNK-d4768348-7
0.435
BEN-DND-76ad4ac9-10
0.434
BEN-DND-03406596-6
0.434
BEN-DND-76ad4ac9-11
0.432
BEN-DND-03406596-9
0.432
GIA-UNK-7337c2f3-13
0.429
MAK-UNK-7c9d1431-30
0.427
MAR-TRE-6a44bbf2-45
0.427
MAK-UNK-d4768348-1
0.426
SAD-SAT-3a925b8b-9
0.426
AAR-POS-0daf6b7e-15
0.426
MAK-UNK-d4768348-4
0.426
MED-COV-4280ac29-5
0.422
NIM-UNI-05f93fcc-2
0.421