Molecular Properties | |
SMILES: | COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCCO3)CC2)cc1OC |
MW: | 412.17 |
Fraction sp3: | 0.63 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 94.17 |
cLogP: | 1.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2071382545 |
MolPort: | MolPort-002-121-175 |
Hetero_hetero
MAK-UNK-7c9d1431-19
0.439
MAR-TRE-fd17a9b8-4
0.432
MAR-TRE-fd17a9b8-50
0.432
MAR-TRE-fd17a9b8-92
0.429
MAR-TRE-fd17a9b8-47
0.419
JUL-TUD-06b2044f-58
0.415
MAR-TRE-fd17a9b8-22
0.413
MAR-TRE-fd17a9b8-100
0.402
MAR-TRE-fd17a9b8-8
0.398
MAR-TRE-a9136c7b-38
0.349
AAR-POS-0daf6b7e-23
0.333
WIL-NOV-066c4001-1
0.326
DRA-CSI-3ab97369-5
0.314
DRA-CSI-3ab97369-6
0.311
MAR-TRE-2fd8122f-33
0.308
DRA-CSI-3ab97369-3
0.308
DRA-CSI-7ec17797-19
0.307
DRA-CSI-3ab97369-7
0.303
MAK-UNK-69bf97dd-1
0.301
SAD-SAT-29425be4-6
0.299
BEN-DND-76ad4ac9-6
0.299
MAR-TRE-d0525fbf-51
0.297
MAT-POS-b5746674-54
0.297
DRA-CSI-3ab97369-1
0.296
KEI-TRE-d5e2018a-53
0.295
MAR-TRE-9c797165-16
0.295
MAR-TRE-6a44bbf2-42
0.292
MAR-TRE-3e4e6814-60
0.291
MAK-UNK-69bf97dd-9
0.290
MAR-TRE-fd17a9b8-36
0.290
KEI-TRE-d5e2018a-73
0.288
MAR-TRE-74c6519b-66
0.288
MAR-TRE-6a44bbf2-45
0.287
MAR-TRE-d0525fbf-90
0.287
MAK-UNK-7c9d1431-30
0.287
MAK-UNK-69bf97dd-5
0.286
MAR-TRE-fd17a9b8-56
0.286
MAR-TRE-9c797165-90
0.284
MAR-TRE-67513f76-1
0.284
MAR-TRE-a78003aa-100
0.283
AHN-SAT-de2502ba-10
0.280
MAR-TRE-799db12b-18
0.279
HIR-FOR-a67ea703-1
0.278
AHN-SAT-de2502ba-9
0.277
PAU-UNI-6d15a9f5-1
0.276
MAR-TRE-7f7bb9f0-34
0.274
JAG-UCB-ef2c0e8e-6
0.274
LON-WEI-4d77710c-13
0.274
MAR-TRE-67513f76-29
0.274
LON-WEI-5e7d1b3e-13
0.274
MAR-TRE-fd17a9b8-16
0.273
DRA-CSI-7ec17797-18
0.273
ALP-POS-88a7a97e-27
0.271
MAR-TRE-67513f76-62
0.268
MAK-UNK-7c9d1431-8
0.267
GIA-UNK-595fac82-4
0.267
MAR-TRE-6a44bbf2-26
0.267
MAR-TRE-d0525fbf-87
0.266
MAR-TRE-2fd8122f-55
0.266
GIA-UNK-5ec6c2b8-4
0.265
MAK-UNK-69bf97dd-2
0.264
PEI-IMP-ca0b2813-3
0.263
DRA-CSI-3ab97369-4
0.262
KEI-TRE-d5e2018a-38
0.262
AHN-SAT-de2502ba-19
0.261
MAR-TRE-fd17a9b8-64
0.260
MAR-TRE-2fd8122f-29
0.260
DRA-CSI-3ab97369-2
0.259
BEN-DND-76ad4ac9-1
0.258
GIA-UNK-eaadd1d4-3
0.258
SAD-SAT-29425be4-3
0.257
MAR-TRE-fd17a9b8-15
0.256
AHN-SAT-de2502ba-17
0.255
MAR-TRE-fd17a9b8-42
0.255
AHN-SAT-de2502ba-18
0.255
MAK-UNK-7c9d1431-26
0.255
MAR-TRE-6a44bbf2-22
0.255
MAR-TRE-8190bb11-100
0.255
MAR-TRE-4f781e27-67
0.255
SAD-SAT-f2e2579e-7
0.255
MAR-TRE-a78003aa-48
0.253
AHN-SAT-de2502ba-16
0.253
MAK-UNK-69bf97dd-3
0.252
MAR-TRE-2fd8122f-35
0.252
PED-UNI-b79f0f51-1
0.252
PED-UNI-b79f0f51-2
0.252
MAK-UNK-69bf97dd-6
0.250
MAK-UNK-69bf97dd-8
0.250
LON-WEI-adc59df6-32
0.250
MAR-TRE-4b834d9a-28
0.250
SIM-SYN-3099a863-1
0.250
MAR-TRE-9c797165-50
0.250
SAD-SAT-f2e2579e-2
0.248
DRA-CSI-7ec17797-4
0.248
MAR-TRE-2fd8122f-19
0.248
TAT-ENA-80bfd3e5-27
0.248
SAD-SAT-2fd372d1-3
0.247
SAD-SAT-9a6c5cf3-1
0.246
MAK-UNK-69bf97dd-7
0.245
MAR-TRE-a9136c7b-65
0.245