Molecular Properties | |
SMILES: | Cc1ccc(NC(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c(Cl)c1 |
MW: | 404.17 |
Fraction sp3: | 0.42 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 91.41 |
cLogP: | 2.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3221654555 |
MolPort: | MolPort-009-740-015 |
Aliphatic long chain
MAR-TRE-f5c2d31c-29
0.762
MAR-TRE-f5c2d31c-35
0.686
MAR-TRE-f5c2d31c-27
0.671
MAR-TRE-f5c2d31c-57
0.667
MAR-TRE-f5c2d31c-37
0.659
MAR-TRE-f5c2d31c-19
0.655
MAR-TRE-f5c2d31c-66
0.651
MAR-TRE-f5c2d31c-9
0.640
MAR-TRE-f5c2d31c-54
0.629
MAR-TRE-f5c2d31c-11
0.614
MAR-TRE-f5c2d31c-7
0.605
MAR-TRE-f5c2d31c-28
0.596
MAR-TRE-f5c2d31c-39
0.576
MAR-TRE-f5c2d31c-33
0.570
MAR-TRE-fd17a9b8-72
0.533
MAR-TRE-f5c2d31c-34
0.511
MAR-TRE-f5c2d31c-52
0.511
MAR-TRE-f5c2d31c-12
0.505
MAR-TRE-f5c2d31c-74
0.495
MAR-TRE-f5c2d31c-25
0.467
MAR-TRE-f5c2d31c-8
0.453
MAR-TRE-f5c2d31c-43
0.453
MAR-TRE-f5c2d31c-42
0.444
MAR-TRE-f5c2d31c-96
0.438
MAR-TRE-f5c2d31c-18
0.416
MAR-TRE-f5c2d31c-85
0.413
MAR-TRE-f5c2d31c-99
0.410
MAR-TRE-f5c2d31c-13
0.408
MAR-TRE-f5c2d31c-81
0.404
MAR-TRE-f5c2d31c-38
0.390
MAR-TRE-f5c2d31c-36
0.388
MAR-TRE-fd17a9b8-49
0.385
MAR-TRE-f5c2d31c-70
0.385
MAR-TRE-f5c2d31c-63
0.364
MAR-TRE-f5c2d31c-83
0.364
MAR-TRE-f5c2d31c-20
0.362
MAR-TRE-fd17a9b8-85
0.314
MAR-TRE-f5c2d31c-79
0.314
SAD-SAT-f0a2747f-5
0.305
MAR-TRE-6a44bbf2-67
0.290
JOH-UNI-522b0723-10
0.282
AHN-SAT-de2502ba-13
0.276
MAR-TRE-6a44bbf2-83
0.276
KOV-VNK-5e1a909f-32
0.270
MAR-TRE-dab8f6ea-33
0.268
MAR-TRE-6a44bbf2-42
0.267
MAR-TRE-9c797165-83
0.265
AHN-SAT-de2502ba-9
0.265
MAR-TRE-6a44bbf2-20
0.265
AHN-SAT-de2502ba-12
0.265
SAD-SAT-65574d3f-8
0.265
ANT-DIA-b7f58f21-9
0.264
MAR-TRE-67513f76-86
0.258
BAR-COM-0f94fc3d-33
0.257
AHN-SAT-de2502ba-16
0.255
MAR-TRE-a78003aa-95
0.255
BAR-COM-4e090d3a-58
0.255
MAR-TRE-3159af1a-71
0.255
ROB-UNI-b2e39629-12
0.254
MAR-TRE-3159af1a-17
0.252
ALP-POS-305f6ec3-22
0.252
WIL-NOV-649f4ed0-2
0.250
MAR-TRE-67513f76-60
0.250
SAD-SAT-135344c3-1
0.245
TAM-UNI-d1c3dd9f-21
0.245
MAR-TRE-3159af1a-95
0.244
MAR-TRE-9c797165-32
0.243
PAT-GYR-de8eec61-5
0.241
MAR-TRE-3159af1a-82
0.239
ALE-HEI-f28a35b5-13
0.239
MAT-POS-b5746674-109
0.239
LON-WEI-5e7d1b3e-16
0.239
MAT-POS-2492181e-11
0.239
LON-WEI-4d77710c-16
0.239
NAU-LAT-f723e322-5
0.239
MAR-TRE-a78003aa-42
0.238
MAR-TRE-3159af1a-88
0.237
MAR-TRE-3159af1a-52
0.237
RHE-UNK-eb059eb9-1
0.237
MAR-TRE-6a44bbf2-13
0.237
WAR-XCH-79d12f6e-6
0.237
AAR-POS-0daf6b7e-3
0.237
MAR-LAB-ca4662a6-5
0.237
SAD-SAT-f0a2747f-7
0.236
MAR-TRE-dab8f6ea-42
0.235
MAR-TRE-4b834d9a-64
0.235
BOG-INS-bdba9cfb-1
0.235
MAR-TRE-9c797165-69
0.235
KEI-TRE-d5e2018a-13
0.234
MAR-TRE-8190bb11-100
0.234
JUL-TUD-06b2044f-154
0.233
MAR-TRE-9c797165-58
0.233
MAR-TRE-2fd8122f-35
0.233
JOH-UNI-abdb2f0c-2
0.233
JOH-UNI-abdb2f0c-3
0.232
JOH-UNI-522b0723-12
0.232
MAR-TRE-c8530538-38
0.231
ALP-POS-a3de0cb1-12
0.230
SAD-SAT-7d5528d9-4
0.230
MAR-TRE-3159af1a-28
0.230