Molecular Properties | |
SMILES: | Cc1ccc(NC(=O)NCCNc2cc(N3CCOCC3)ncn2)cc1Cl |
MW: | 390.16 |
Fraction sp3: | 0.39 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 91.41 |
cLogP: | 2.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5167460641 |
MolPort: | MolPort-021-779-103 |
Aliphatic long chain
MAR-TRE-f5c2d31c-99
0.797
MAR-TRE-f5c2d31c-13
0.780
MAR-TRE-f5c2d31c-70
0.768
MAR-TRE-fd17a9b8-49
0.768
MAR-TRE-f5c2d31c-96
0.738
MAR-TRE-f5c2d31c-81
0.728
MAR-TRE-f5c2d31c-36
0.714
MAR-TRE-f5c2d31c-18
0.714
MAR-TRE-f5c2d31c-19
0.687
MAR-TRE-f5c2d31c-38
0.687
MAR-TRE-f5c2d31c-20
0.674
MAR-TRE-f5c2d31c-63
0.670
MAR-TRE-f5c2d31c-83
0.670
MAR-TRE-f5c2d31c-74
0.663
MAR-TRE-f5c2d31c-35
0.659
MAR-TRE-f5c2d31c-52
0.644
MAR-TRE-f5c2d31c-85
0.591
MAR-TRE-f5c2d31c-28
0.538
MAR-TRE-fd17a9b8-85
0.527
MAR-TRE-f5c2d31c-11
0.505
MAR-TRE-f5c2d31c-9
0.495
MAR-TRE-f5c2d31c-33
0.485
MAR-TRE-f5c2d31c-39
0.475
MAR-TRE-f5c2d31c-37
0.473
MAR-TRE-f5c2d31c-7
0.463
MAR-TRE-f5c2d31c-29
0.449
MAR-TRE-f5c2d31c-22
0.444
MAR-TRE-f5c2d31c-57
0.439
MAR-TRE-f5c2d31c-27
0.430
MAR-TRE-f5c2d31c-66
0.416
MAR-TRE-f5c2d31c-54
0.404
MAR-TRE-dab8f6ea-48
0.370
MAR-TRE-fd17a9b8-72
0.363
MAR-TRE-6a44bbf2-67
0.344
MAR-TRE-f5c2d31c-12
0.327
MAR-TRE-f5c2d31c-34
0.327
AHN-SAT-de2502ba-13
0.326
MAR-TRE-6a44bbf2-83
0.326
MAR-TRE-f5c2d31c-24
0.321
MAR-TRE-9c797165-83
0.316
MAR-TRE-f5c2d31c-8
0.311
MAR-TRE-67513f76-86
0.309
MAR-TRE-f5c2d31c-25
0.308
MAR-TRE-1c920f6f-26
0.301
MAR-TRE-f5c2d31c-43
0.299
UNK-UNK-2ede4078-62
0.292
MAR-TRE-6a44bbf2-42
0.290
BAR-COM-0f94fc3d-33
0.290
AHN-SAT-de2502ba-9
0.289
BAR-COM-4e090d3a-58
0.288
MAR-TRE-d0525fbf-56
0.284
MAR-TRE-67513f76-60
0.284
MAR-TRE-9c797165-69
0.284
MAR-TRE-9c797165-58
0.280
JOH-UNI-522b0723-10
0.279
MAR-TRE-9c797165-32
0.276
BEN-DND-93268d01-10
0.274
MAR-TRE-9c797165-3
0.272
MAR-TRE-4b834d9a-64
0.270
MAR-TRE-d0525fbf-99
0.270
MAR-TRE-8190bb11-100
0.267
MAR-TRE-3159af1a-64
0.267
MAR-TRE-dab8f6ea-39
0.264
WIL-NOV-649f4ed0-2
0.260
SAD-SAT-f0a2747f-7
0.257
GAB-FAC-880f6604-1
0.257
PET-SGC-6016d8e6-1
0.257
MAR-TRE-74c6519b-43
0.256
JOH-UNI-abdb2f0c-3
0.255
AHN-SAT-de2502ba-16
0.253
MAK-UNK-c8c8f7e2-18
0.253
MAR-TRE-74c6519b-99
0.252
AHN-SAT-de2502ba-4
0.250
MAR-TRE-6a44bbf2-100
0.250
ALP-POS-a3de0cb1-12
0.248
MAR-TRE-fd17a9b8-97
0.248
MAR-TRE-dab8f6ea-19
0.248
BAR-COM-4e090d3a-66
0.248
WIL-NOV-649f4ed0-5
0.248
MAR-LAB-ca4662a6-5
0.247
PET-SGC-276eba5a-1
0.246
JUL-TUD-06b2044f-5
0.246
NIR-THE-b7e8e081-2
0.245
BEN-DND-6de5dfa0-16
0.245
BAR-COM-4e090d3a-54
0.244
DAR-DIA-fb20be43-17
0.243
DAR-DIA-fb20be43-18
0.243
MAR-TRE-3159af1a-95
0.242
JOH-UNI-abdb2f0c-2
0.241
MAR-TRE-3159af1a-71
0.241
MAR-TRE-8190bb11-7
0.240
MAR-TRE-c317dd82-22
0.239
ANT-DIA-b7f58f21-9
0.239
MAR-TRE-3159af1a-17
0.238
MAR-TRE-6a44bbf2-20
0.238
SAD-SAT-65574d3f-8
0.238
AAR-UNI-c25c2f1e-78
0.238
AHN-SAT-de2502ba-12
0.238
MAR-TRE-3159af1a-82
0.237
ROB-UNI-b2e39629-11
0.237