Molecular Properties | |
SMILES: | COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1C(=O)NC(C)C |
MW: | 383.15 |
Fraction sp3: | 0.53 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 118.8 |
cLogP: | 0.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6802233428 |
MolPort: | MolPort-008-388-385 |
Hetero_hetero
MAR-TRE-fd17a9b8-47
0.781
MAR-TRE-fd17a9b8-50
0.735
MAR-TRE-fd17a9b8-22
0.694
MAR-TRE-fd17a9b8-100
0.629
MAR-TRE-fd17a9b8-83
0.456
MAR-TRE-fd17a9b8-8
0.452
MAR-TRE-fd17a9b8-2
0.432
KEI-TRE-d5e2018a-53
0.422
MAR-TRE-fd17a9b8-46
0.417
MAR-TRE-fd17a9b8-95
0.407
MAR-TRE-fd17a9b8-16
0.387
MAR-TRE-fd17a9b8-92
0.375
MAK-UNK-7c9d1431-19
0.375
JAG-UCB-ef2c0e8e-8
0.325
MAR-TRE-fd17a9b8-56
0.323
BEN-DND-76ad4ac9-6
0.312
MAR-TRE-fd17a9b8-82
0.303
CLI-TLC-bf000c24-1
0.299
MAR-TRE-fd17a9b8-64
0.297
MAR-TRE-fd17a9b8-15
0.296
MAR-TRE-fd17a9b8-42
0.294
MAR-TRE-fd17a9b8-60
0.293
GIA-UNK-5ec6c2b8-4
0.293
GIA-UNK-595fac82-4
0.293
AHN-SAT-de2502ba-10
0.291
MAR-TRE-2fd8122f-55
0.287
MAK-UNK-69bf97dd-1
0.286
MAR-TRE-fd17a9b8-90
0.284
MAR-TRE-2fd8122f-33
0.282
MAR-TRE-799db12b-5
0.281
AHN-SAT-de2502ba-17
0.279
TAT-ENA-80bfd3e5-48
0.279
MAR-TRE-74c6519b-66
0.274
PEI-IMP-ca0b2813-3
0.273
KEI-TRE-d5e2018a-73
0.273
SAD-SAT-1f400d17-4
0.271
AHN-SAT-de2502ba-19
0.271
DRA-CSI-7ec17797-19
0.270
MAK-UNK-7c9d1431-30
0.270
MAR-TRE-6a44bbf2-45
0.270
MAR-TRE-d0525fbf-90
0.270
WAR-XCH-72a8c209-3
0.269
MAT-POS-b5746674-56
0.268
BEN-DND-76ad4ac9-1
0.268
AHN-SAT-de2502ba-18
0.264
MAR-TRE-8190bb11-100
0.263
KEI-TRE-d5e2018a-9
0.263
KEI-TRE-d5e2018a-13
0.263
MAR-TRE-c317dd82-78
0.263
MAK-UNK-7c9d1431-8
0.262
MAR-TRE-6a44bbf2-26
0.262
DRA-CSI-3ab97369-3
0.261
MAR-TRE-6a44bbf2-42
0.261
SAD-SAT-9a6c5cf3-6
0.260
AHN-SAT-de2502ba-9
0.258
SIM-SYN-3099a863-1
0.258
KEI-TRE-d5e2018a-10
0.258
DRA-CSI-7ec17797-18
0.257
SAD-SAT-2fd372d1-3
0.256
DRA-CSI-3ab97369-6
0.254
AHN-SAT-de2502ba-6
0.253
MAR-TRE-6a44bbf2-43
0.253
GIA-UNK-eaadd1d4-3
0.253
ANT-OPE-7824651a-1
0.253
JON-UNI-bb9dc649-5
0.253
LON-WEI-b2874fec-13
0.253
MAR-TRE-a9136c7b-65
0.253
KEI-TRE-d5e2018a-61
0.253
HIR-FOR-a67ea703-1
0.252
SAD-SAT-f2e2579e-7
0.250
CLI-UNI-032f7715-3
0.250
CLI-UNI-032f7715-4
0.250
MAR-TRE-4f781e27-67
0.250
DRA-CSI-3ab97369-5
0.248
DRA-CSI-3ab97369-1
0.248
MAR-TRE-2fd8122f-35
0.248
MAR-TRE-e86a56b5-8
0.248
MAK-UNK-69bf97dd-9
0.247
SAD-SAT-2fd372d1-10
0.247
AHN-SAT-de2502ba-5
0.247
MAK-UNK-7c9d1431-17
0.247
MAK-UNK-6435e6c2-5
0.247
VIK-SYN-9a3d118a-5
0.247
MAT-POS-b5746674-55
0.247
AAR-POS-0daf6b7e-32
0.247
MAR-TRE-d0525fbf-45
0.245
KEI-TRE-d5e2018a-38
0.245
MAK-UNK-69bf97dd-5
0.245
JOE-NOR-ee0d220f-1
0.245
MAR-TRE-6a44bbf2-32
0.244
ABB-MCD-f8003a30-1
0.244
SAD-SAT-1f400d17-2
0.244
WAR-XCH-b6889685-23
0.244
SAD-SAT-f2e2579e-2
0.243
MAR-TRE-e86a56b5-12
0.243
DRA-CSI-7ec17797-4
0.243
MAK-UNK-1cb0e944-9
0.242
SAD-SAT-9a6c5cf3-2
0.242
MAR-TRE-a9136c7b-64
0.242
MAR-TRE-799db12b-32
0.242