Molecular Properties | |
SMILES: | Cc1ccc(NC(=O)NCCNc2cc(N3CCOCC3)ncn2)c(C)c1 |
MW: | 370.21 |
Fraction sp3: | 0.42 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 91.41 |
cLogP: | 2.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6569540647 |
MolPort: | MolPort-021-777-909 |
Aliphatic long chain
MAR-TRE-f5c2d31c-35
0.768
MAR-TRE-f5c2d31c-96
0.704
MAR-TRE-f5c2d31c-29
0.679
MAR-TRE-f5c2d31c-74
0.671
MAR-TRE-f5c2d31c-18
0.663
MAR-TRE-f5c2d31c-99
0.659
MAR-TRE-f5c2d31c-85
0.652
MAR-TRE-f5c2d31c-42
0.644
MAR-TRE-fd17a9b8-49
0.636
MAR-TRE-f5c2d31c-70
0.636
MAR-TRE-f5c2d31c-38
0.635
MAR-TRE-f5c2d31c-81
0.616
MAR-TRE-f5c2d31c-36
0.607
MAR-TRE-f5c2d31c-63
0.604
MAR-TRE-f5c2d31c-20
0.589
MAR-TRE-f5c2d31c-83
0.587
MAR-TRE-f5c2d31c-13
0.576
MAR-TRE-fd17a9b8-85
0.533
MAR-TRE-f5c2d31c-22
0.511
MAR-TRE-f5c2d31c-57
0.489
MAR-TRE-f5c2d31c-27
0.464
MAR-TRE-f5c2d31c-66
0.434
MAR-TRE-f5c2d31c-9
0.424
MAR-TRE-f5c2d31c-54
0.422
MAR-TRE-f5c2d31c-19
0.418
MAR-TRE-f5c2d31c-37
0.417
MAR-TRE-f5c2d31c-11
0.406
MAR-TRE-f5c2d31c-28
0.406
MAR-TRE-f5c2d31c-39
0.394
MAR-TRE-f5c2d31c-7
0.394
MAR-TRE-f5c2d31c-33
0.390
MAR-TRE-dab8f6ea-48
0.374
MAR-TRE-f5c2d31c-12
0.356
MAR-TRE-fd17a9b8-72
0.340
MAR-TRE-f5c2d31c-34
0.330
MAR-TRE-6a44bbf2-67
0.319
MAR-TRE-f5c2d31c-24
0.311
MAR-TRE-9c797165-83
0.305
MAR-TRE-67513f76-86
0.298
MAR-TRE-f5c2d31c-8
0.290
MAR-TRE-f5c2d31c-25
0.286
BAR-COM-0f94fc3d-33
0.280
SAD-SAT-f0a2747f-5
0.278
MAR-TRE-f5c2d31c-43
0.278
MAR-TRE-9c797165-58
0.270
MAR-TRE-c8530538-38
0.267
MAR-TRE-9c797165-32
0.267
ANT-DIA-b7f58f21-9
0.264
MAR-LAB-ca4662a6-5
0.263
AGN-NEW-051944a9-4
0.263
BEN-DND-93268d01-10
0.263
MAR-TRE-6a44bbf2-83
0.263
AHN-SAT-de2502ba-13
0.263
WIL-NOV-649f4ed0-2
0.262
AGN-NEW-051944a9-2
0.261
AGN-NEW-9d245c51-5
0.261
MAR-TRE-9c797165-69
0.260
MAR-TRE-4b834d9a-64
0.260
JOH-UNI-abdb2f0c-3
0.258
JOH-UNI-522b0723-10
0.257
MAR-TRE-74c6519b-37
0.254
ALE-HEI-f28a35b5-13
0.253
AHN-SAT-de2502ba-9
0.253
WIL-NOV-649f4ed0-5
0.250
MAR-TRE-d0525fbf-99
0.250
MAR-TRE-67513f76-60
0.250
MAR-TRE-3159af1a-82
0.250
PET-SGC-6016d8e6-1
0.248
AGN-NEW-051944a9-3
0.246
ALP-POS-780445ae-1
0.246
MAR-TRE-8190bb11-100
0.245
AGN-NEW-5f02c22c-1
0.244
AGN-NEW-051944a9-1
0.244
MAR-TRE-3159af1a-95
0.244
MAR-TRE-3159af1a-71
0.243
MAR-TRE-dab8f6ea-39
0.243
BAR-COM-4e090d3a-58
0.243
MAR-TRE-6a44bbf2-42
0.243
MAR-TRE-04c86cea-99
0.242
MAR-TRE-3159af1a-15
0.242
MAR-TRE-c317dd82-22
0.241
MAR-TRE-3159af1a-17
0.240
ALP-POS-a3de0cb1-12
0.240
SAD-SAT-65574d3f-8
0.240
AHN-SAT-de2502ba-12
0.240
MAR-TRE-6a44bbf2-20
0.240
AGN-NEW-9d245c51-2
0.239
LON-WEI-4d77710c-16
0.239
MAT-POS-2492181e-11
0.239
MAT-POS-b5746674-109
0.239
LON-WEI-5e7d1b3e-16
0.239
MAR-TRE-dab8f6ea-19
0.239
MAR-TRE-04c86cea-91
0.238
LON-WEI-120e5cf5-13
0.238
PET-SGC-276eba5a-1
0.237
MAR-TRE-3159af1a-52
0.237
MAR-TRE-3159af1a-88
0.237
AAR-POS-d2a4d1df-36
0.237
TRI-UNI-97428359-2
0.236
GAB-FAC-880f6604-1
0.236