Molecular Properties | |
SMILES: | CCc1cccc(NC(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c1 |
MW: | 384.23 |
Fraction sp3: | 0.45 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 91.41 |
cLogP: | 2.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2859834201 |
MolPort: | MolPort-019-798-587 |
Aliphatic long chain
MAR-TRE-f5c2d31c-9
0.756
MAR-TRE-f5c2d31c-11
0.747
MAR-TRE-f5c2d31c-33
0.713
MAR-TRE-f5c2d31c-19
0.690
MAR-TRE-f5c2d31c-63
0.674
MAR-TRE-f5c2d31c-28
0.667
MAR-TRE-f5c2d31c-37
0.655
MAR-TRE-f5c2d31c-7
0.640
MAR-TRE-f5c2d31c-66
0.629
MAR-TRE-f5c2d31c-54
0.609
MAR-TRE-f5c2d31c-57
0.607
MAR-TRE-f5c2d31c-29
0.600
MAR-TRE-f5c2d31c-22
0.576
MAR-TRE-f5c2d31c-27
0.576
MAR-TRE-fd17a9b8-72
0.533
MAR-TRE-f5c2d31c-18
0.505
MAR-TRE-f5c2d31c-36
0.490
MAR-TRE-f5c2d31c-83
0.475
MAR-TRE-f5c2d31c-20
0.475
MAR-TRE-f5c2d31c-42
0.475
MAR-TRE-f5c2d31c-43
0.469
MAR-TRE-f5c2d31c-34
0.462
MAR-TRE-f5c2d31c-12
0.458
MAR-TRE-f5c2d31c-99
0.455
MAR-TRE-f5c2d31c-8
0.454
MAR-TRE-f5c2d31c-25
0.453
MAR-TRE-f5c2d31c-70
0.441
MAR-TRE-fd17a9b8-49
0.441
MAR-TRE-f5c2d31c-96
0.439
MAR-TRE-f5c2d31c-13
0.437
MAR-TRE-f5c2d31c-81
0.434
MAR-TRE-f5c2d31c-38
0.406
MAR-TRE-f5c2d31c-85
0.402
MAR-TRE-f5c2d31c-52
0.394
MAR-TRE-f5c2d31c-74
0.394
MAR-TRE-f5c2d31c-35
0.383
BAR-COM-4e090d3a-58
0.374
MAR-TRE-fd17a9b8-85
0.318
BAR-COM-0f94fc3d-33
0.308
MAR-TRE-f5c2d31c-79
0.305
AAR-UNI-c25c2f1e-30
0.302
MAK-UNK-987948f6-11
0.298
MAR-TRE-74c6519b-31
0.296
MAR-TRE-6a44bbf2-67
0.295
BAR-COM-4e090d3a-54
0.293
WIL-LEE-23e8b574-8
0.293
MAR-TRE-a9136c7b-11
0.288
AAR-UNI-c25c2f1e-46
0.284
AAR-UNI-c25c2f1e-78
0.283
AAR-UNI-c25c2f1e-31
0.280
BAR-COM-4e090d3a-61
0.279
MAR-TRE-3159af1a-82
0.276
MAR-TRE-b77b7921-90
0.276
SAD-SAT-135344c3-7
0.275
MAR-TRE-3159af1a-47
0.274
JOH-UNI-522b0723-10
0.274
ERI-BAS-bd3ef700-1
0.273
MAR-TRE-f6f5f473-44
0.273
LUI-IND-a1be81af-2
0.271
AHN-SAT-de2502ba-4
0.270
MAR-TRE-6a44bbf2-100
0.270
LON-WEI-b8d98729-15
0.268
BAR-COM-4e090d3a-66
0.265
MAK-UNK-c8c8f7e2-17
0.263
AAR-UNI-c25c2f1e-98
0.262
SAD-SAT-29425be4-8
0.261
MAR-TRE-dab8f6ea-33
0.261
LON-WEI-d1c9908a-6
0.260
MAK-UNK-c8c8f7e2-18
0.260
LON-WEI-b8d98729-17
0.258
JOR-UNI-61e7b1d5-17
0.258
AAR-UNI-c25c2f1e-65
0.257
MAR-TRE-9c797165-83
0.257
MAR-TRE-3159af1a-17
0.257
MAR-TRE-799db12b-97
0.257
BAR-COM-4e090d3a-60
0.257
SAD-SAT-7d5528d9-4
0.257
LON-WEI-b8d98729-16
0.256
ALP-POS-305f6ec3-22
0.255
AAR-UNI-c25c2f1e-51
0.255
AHN-SAT-de2502ba-13
0.255
MAR-TRE-6a44bbf2-83
0.255
AAR-UNI-c25c2f1e-18
0.255
SAD-SAT-f0a2747f-4
0.255
AAR-UNI-c25c2f1e-22
0.254
MAR-TRE-04c86cea-42
0.254
ALP-POS-a3de0cb1-12
0.254
MAR-TRE-9c797165-69
0.253
RAL-MED-2de63afb-13
0.252
WIL-UNI-5578df48-30
0.250
MAR-TRE-67513f76-86
0.250
ALP-POS-95f71980-19
0.250
ALP-POS-d0876c20-12
0.248
MAR-TRE-3159af1a-71
0.248
SAD-SAT-135344c3-8
0.248
BAR-COM-21d20d65-6
0.248
MAR-TRE-9d18ae8c-43
0.248
MAR-TRE-6a44bbf2-42
0.248
WIL-UNI-5578df48-26
0.248
JOR-UNI-61e7b1d5-4
0.246