Molecular Properties | |
SMILES: | CCc1ccccc1NC(=O)NCCNc1cc(N2CCOCC2)nc(C)n1 |
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-6021415745 |
MolPort: | MolPort-016-588-153 |
Aliphatic long chain
MAR-TRE-f5c2d31c-57
0.750
MAR-TRE-f5c2d31c-54
0.667
MAR-TRE-f5c2d31c-29
0.659
MAR-TRE-f5c2d31c-27
0.651
MAR-TRE-f5c2d31c-22
0.651
MAR-TRE-f5c2d31c-39
0.629
MAR-TRE-f5c2d31c-9
0.621
MAR-TRE-f5c2d31c-37
0.619
MAR-TRE-f5c2d31c-19
0.616
MAR-TRE-f5c2d31c-11
0.614
MAR-TRE-f5c2d31c-7
0.605
MAR-TRE-f5c2d31c-33
0.604
MAR-TRE-f5c2d31c-28
0.596
MAR-TRE-fd17a9b8-72
0.533
MAR-TRE-f5c2d31c-74
0.495
MAR-TRE-f5c2d31c-43
0.484
MAR-TRE-f5c2d31c-34
0.478
MAR-TRE-f5c2d31c-25
0.467
MAR-TRE-f5c2d31c-12
0.457
MAR-TRE-f5c2d31c-8
0.453
MAR-TRE-f5c2d31c-85
0.441
MAR-TRE-f5c2d31c-35
0.436
MAR-TRE-f5c2d31c-52
0.434
MAR-TRE-f5c2d31c-42
0.416
MAR-TRE-f5c2d31c-99
0.410
MAR-TRE-f5c2d31c-96
0.408
MAR-TRE-f5c2d31c-63
0.404
MAR-TRE-f5c2d31c-18
0.402
MAR-TRE-f5c2d31c-83
0.390
MAR-TRE-f5c2d31c-81
0.390
MAR-TRE-f5c2d31c-36
0.388
MAR-TRE-fd17a9b8-49
0.385
MAR-TRE-f5c2d31c-70
0.385
MAR-TRE-f5c2d31c-13
0.381
MAR-TRE-f5c2d31c-38
0.376
MAR-TRE-f5c2d31c-20
0.375
MAR-TRE-6a44bbf2-97
0.357
MAR-TRE-6a44bbf2-27
0.333
MAR-TRE-f5c2d31c-79
0.327
MAR-TRE-fd17a9b8-85
0.314
AAR-UNI-c25c2f1e-36
0.297
MAR-TRE-3159af1a-52
0.292
MAR-TRE-6a44bbf2-67
0.290
BAR-COM-4e090d3a-4
0.290
JOH-UNI-522b0723-10
0.282
BAR-COM-4e090d3a-58
0.279
MAR-TRE-6a44bbf2-20
0.278
SAD-SAT-65574d3f-8
0.278
AHN-SAT-de2502ba-12
0.278
ANT-DIA-b7f58f21-9
0.276
MAR-TRE-6a44bbf2-34
0.276
TAM-UNI-d1c3dd9f-21
0.269
BAR-COM-0f94fc3d-33
0.269
MAR-TRE-dab8f6ea-33
0.268
AAR-UNI-c25c2f1e-13
0.267
MAR-TRE-3159af1a-71
0.266
MAR-TRE-9c797165-83
0.265
MAR-TRE-3159af1a-95
0.265
MAR-TRE-3159af1a-17
0.265
SAM-UNK-2684b532-8
0.264
KOV-VNK-5e1a909f-27
0.262
WIL-NOV-649f4ed0-2
0.262
MAR-TRE-f6f5f473-87
0.262
MAT-POS-b5746674-109
0.261
MAT-POS-2492181e-11
0.261
LON-WEI-4d77710c-16
0.261
LON-WEI-5e7d1b3e-16
0.261
MAR-TRE-3159af1a-82
0.261
MAR-TRE-74c6519b-32
0.259
MAR-TRE-67513f76-86
0.258
AAR-UNI-c25c2f1e-10
0.257
SAD-SAT-135344c3-1
0.257
BOG-INS-bdba9cfb-1
0.256
SEL-UNI-cd366922-6
0.255
ROB-UNI-b2e39629-12
0.254
ALE-HEI-f28a35b5-13
0.253
SIM-DEM-f31d0e65-1
0.252
MAK-UNK-69bf97dd-6
0.252
MAR-TRE-3159af1a-28
0.252
MAR-TRE-dab8f6ea-43
0.252
MAR-TRE-f5c2d31c-58
0.252
ALP-POS-305f6ec3-22
0.252
AHN-SAT-de2502ba-13
0.250
MAR-TRE-6a44bbf2-83
0.250
MAR-LAB-ca4662a6-5
0.250
MAR-TRE-f6f5f473-60
0.250
WIL-NOV-649f4ed0-5
0.250
GIA-UNK-3f36037a-2
0.250
MAR-TRE-67513f76-60
0.250
MAR-TRE-3159af1a-88
0.248
MAR-TRE-4b834d9a-64
0.248
ALP-POS-95f71980-19
0.246
MAR-TRE-4f781e27-67
0.245
MAR-TRE-9c797165-58
0.245
MAK-UNK-3d7e3904-3
0.245
ALP-POS-d0876c20-12
0.244
JUL-TUD-06b2044f-154
0.244
AAR-UNI-c25c2f1e-92
0.243
MAR-TRE-9c797165-32
0.243
MAK-UNK-6ca90168-10
0.242