Molecular Properties | |
SMILES: | COc1cccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1 |
MW: | 332.06 |
Fraction sp3: | 0.46 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 66.92 |
cLogP: | 0.77 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Hetero_hetero
AAR-POS-d2a4d1df-23
0.650
LON-WEI-8f408cad-4
0.650
MAR-TRE-6a44bbf2-18
0.650
MAK-UNK-7c9d1431-17
0.639
MAK-UNK-7c9d1431-11
0.625
MAR-TRE-6a44bbf2-65
0.625
TAT-ENA-80bfd3e5-43
0.625
MAK-UNK-7c9d1431-19
0.600
MAK-UNK-7c9d1431-8
0.587
MAR-TRE-6a44bbf2-26
0.587
IND-SYN-6c8299e8-2
0.582
TAT-ENA-80bfd3e5-25
0.582
MAK-UNK-7c9d1431-4
0.582
ABB-MCD-f8003a30-1
0.578
MAR-TRE-6a44bbf2-32
0.578
MAK-UNK-7c9d1431-30
0.574
MAR-TRE-6a44bbf2-45
0.574
MAK-UNK-7c9d1431-9
0.557
MAR-TRE-6a44bbf2-21
0.557
MAK-UNK-7c9d1431-10
0.554
PEI-IMP-ca0b2813-1
0.538
BEN-DND-76ad4ac9-14
0.536
MAK-UNK-7c9d1431-3
0.536
MAR-TRE-6a44bbf2-68
0.516
MAR-TRE-6a44bbf2-58
0.516
AAR-POS-d2a4d1df-27
0.516
MAR-LAB-efb042c5-5
0.516
KAY-MCD-d0fe5261-1
0.516
MAK-UNK-7c9d1431-22
0.515
AAR-POS-d2a4d1df-32
0.508
MAR-TRE-6a44bbf2-78
0.508
MAK-UNK-7c9d1431-13
0.508
LON-WEI-8f408cad-2
0.508
MAR-TRE-6a44bbf2-4
0.508
AAR-POS-d2a4d1df-44
0.500
DAN-MCD-50ec7d1f-1
0.500
SAD-SAT-bc31ec01-5
0.500
SAD-SAT-3a925b8b-2
0.492
PEI-IMP-ca0b2813-2
0.492
MAT-POS-ee51dedd-2
0.492
MAR-TRE-6a44bbf2-31
0.486
MAK-UNK-7c9d1431-5
0.486
MAK-UNK-7c9d1431-7
0.486
MAR-TRE-6a44bbf2-49
0.486
MAR-TRE-6a44bbf2-38
0.479
MAK-UNK-7c9d1431-1
0.479
MAK-UNK-c74072e5-8
0.471
MAK-UNK-7c9d1431-6
0.471
LON-WEI-8f408cad-3
0.470
AAR-POS-d2a4d1df-22
0.470
MAR-TRE-6a44bbf2-52
0.470
NIM-UNI-05f93fcc-15
0.468
MAR-TRE-6a44bbf2-36
0.467
MAK-UNK-7c9d1431-2
0.467
KEN-MCD-6084b33e-1
0.465
SAD-SAT-bc31ec01-4
0.464
MAK-UNK-6435e6c2-5
0.462
ANT-OPE-7824651a-1
0.459
MAR-TRE-6a44bbf2-13
0.457
RHE-UNK-eb059eb9-1
0.457
AAR-POS-d2a4d1df-36
0.457
WAR-XCH-79d12f6e-6
0.457
AAR-POS-0daf6b7e-3
0.457
MAK-UNK-d4768348-7
0.456
MAR-TRE-6a44bbf2-8
0.449
AAR-POS-d2a4d1df-34
0.449
MAK-UNK-d4768348-1
0.448
MAK-UNK-d4768348-9
0.444
MAK-UNK-7c9d1431-12
0.441
MAK-UNK-c74072e5-9
0.439
BEN-DND-76ad4ac9-12
0.438
DAN-MCD-5c762fbe-1
0.435
SAD-SAT-3a925b8b-9
0.426
MAK-UNK-d4768348-4
0.426
AAR-POS-0daf6b7e-15
0.426
IND-SYN-6c8299e8-7
0.423
MAK-UNK-d4768348-5
0.420
MAK-UNK-d4768348-8
0.420
SAD-SAT-3a925b8b-3
0.420
NIM-UNI-05f93fcc-1
0.420
SAD-SAT-2ceae68f-1
0.420
MAK-UNK-10dfa458-5
0.414
BEN-DND-76ad4ac9-6
0.414
BEN-DND-76ad4ac9-11
0.413
GIA-UNK-4de5abb1-2
0.412
ANT-STE-dbb91f63-2
0.410
MAK-UNK-10dfa458-29
0.408
NIM-UNI-05f93fcc-11
0.408
MAR-TRE-6a44bbf2-7
0.405
AAR-POS-d2a4d1df-37
0.405
MED-COV-4280ac29-5
0.405
ANT-OPE-7824651a-2
0.403
ZAC-MCD-2bc172dc-1
0.403
NIM-UNI-05f93fcc-2
0.403
BEN-DND-76ad4ac9-13
0.400
SAD-SAT-3a925b8b-6
0.400
MAK-UNK-d4768348-2
0.400
MAR-TRE-6a44bbf2-28
0.400
MAK-UNK-7c9d1431-23
0.400
BEN-DND-76ad4ac9-10
0.397