Molecular Properties | |
SMILES: | CSc1cccc(NC(=O)NCCNc2cc(N3CCOCC3)ncn2)c1 |
MW: | 388.17 |
Fraction sp3: | 0.39 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 91.41 |
cLogP: | 2.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1097081255 |
MolPort: | MolPort-020-184-453 |
Aliphatic long chain
MAR-TRE-f5c2d31c-18
0.750
MAR-TRE-f5c2d31c-20
0.750
MAR-TRE-f5c2d31c-36
0.729
MAR-TRE-f5c2d31c-63
0.724
MAR-TRE-fd17a9b8-49
0.701
MAR-TRE-f5c2d31c-70
0.701
MAR-TRE-f5c2d31c-99
0.686
MAR-TRE-f5c2d31c-33
0.685
MAR-TRE-f5c2d31c-96
0.671
MAR-TRE-f5c2d31c-42
0.670
MAR-TRE-f5c2d31c-38
0.663
MAR-TRE-f5c2d31c-81
0.663
MAR-TRE-f5c2d31c-13
0.656
MAR-TRE-f5c2d31c-85
0.606
MAR-TRE-f5c2d31c-74
0.604
MAR-TRE-f5c2d31c-52
0.587
MAR-TRE-f5c2d31c-35
0.568
MAR-TRE-fd17a9b8-85
0.511
MAR-TRE-f5c2d31c-9
0.495
MAR-TRE-f5c2d31c-11
0.490
MAR-TRE-f5c2d31c-39
0.475
MAR-TRE-f5c2d31c-28
0.460
MAR-TRE-f5c2d31c-19
0.444
MAR-TRE-f5c2d31c-37
0.443
MAR-TRE-f5c2d31c-7
0.434
MAR-TRE-f5c2d31c-54
0.393
MAR-TRE-f5c2d31c-27
0.390
MAR-TRE-f5c2d31c-66
0.390
MAR-TRE-f5c2d31c-57
0.385
MAR-TRE-f5c2d31c-29
0.381
MAR-TRE-f5c2d31c-22
0.364
MAR-TRE-dab8f6ea-48
0.359
BAR-COM-4e090d3a-58
0.330
MAR-TRE-f5c2d31c-24
0.324
MAR-TRE-fd17a9b8-72
0.315
MAR-TRE-14ce9fd6-37
0.314
MAR-TRE-6a44bbf2-67
0.305
MAR-TRE-3159af1a-59
0.298
JOH-UNI-522b0723-10
0.295
MAR-TRE-9c797165-83
0.293
MAR-TRE-f5c2d31c-43
0.291
MAR-TRE-f5c2d31c-8
0.291
AAR-UNI-c25c2f1e-30
0.286
MAR-TRE-67513f76-86
0.286
MAR-TRE-f5c2d31c-12
0.282
MAR-TRE-f5c2d31c-34
0.280
AHN-SAT-de2502ba-4
0.280
MAR-TRE-6a44bbf2-100
0.280
BAR-COM-4e090d3a-54
0.280
MAR-TRE-3159af1a-95
0.277
WIL-LEE-23e8b574-8
0.277
JOR-UNI-61e7b1d5-17
0.276
MAR-TRE-f5c2d31c-25
0.275
BAR-COM-0f94fc3d-33
0.270
MAK-UNK-c8c8f7e2-18
0.270
SAD-SAT-24589cd1-2
0.267
ANT-DIA-b7f58f21-9
0.266
JOR-UNI-61e7b1d5-4
0.264
MAR-TRE-67513f76-60
0.264
BAR-COM-4e090d3a-66
0.263
MAR-TRE-a9136c7b-11
0.263
MAR-TRE-3159af1a-82
0.263
MAR-TRE-fd17a9b8-97
0.263
MAR-TRE-9c797165-69
0.263
MAR-TRE-4b834d9a-64
0.262
MAR-TRE-799db12b-34
0.262
SAD-SAT-f25ee457-3
0.261
MAR-TRE-9c797165-58
0.260
MAR-TRE-9c797165-32
0.257
AAR-UNI-c25c2f1e-46
0.255
AAR-UNI-c25c2f1e-78
0.255
AAR-UNI-c25c2f1e-22
0.252
JOR-UNI-61e7b1d5-11
0.252
MAR-TRE-3159af1a-52
0.250
SCO-VAN-260d9628-4
0.248
SAD-SAT-135344c3-1
0.248
MAK-UNK-987948f6-11
0.248
AAR-UNI-c25c2f1e-98
0.248
MAK-UNK-c8c8f7e2-17
0.248
MAR-TRE-2fd8122f-35
0.246
BAR-COM-4e090d3a-48
0.246
JOH-UNI-abdb2f0c-2
0.246
MAR-TRE-3159af1a-71
0.246
LUI-IND-a1be81af-2
0.245
MAR-TRE-6a44bbf2-42
0.245
AAR-POS-d2a4d1df-38
0.245
BAR-COM-4e090d3a-61
0.243
NIR-WEI-dcc3321b-2
0.243
MAR-TRE-3159af1a-17
0.243
ALP-POS-a3de0cb1-12
0.242
MAR-TRE-d0525fbf-99
0.242
WIL-LEE-1f71e281-1
0.241
WIL-NOV-649f4ed0-2
0.241
AHN-SAT-de2502ba-13
0.240
MAR-TRE-6a44bbf2-83
0.240
MAR-TRE-6a44bbf2-3
0.240
AAR-UNI-c25c2f1e-31
0.240
IND-SYN-6c8299e8-9
0.240
JOR-UNI-61e7b1d5-27
0.240
AAR-UNI-c25c2f1e-51
0.240