Molecular Properties | |
SMILES: | Cc1ccc(NC(=O)NCCNc2cc(N3CCOCC3)ncn2)cc1C |
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-9340191248 |
MolPort: | MolPort-020-184-456 |
Aliphatic long chain
MAR-TRE-f5c2d31c-42
0.797
MAR-TRE-f5c2d31c-70
0.787
MAR-TRE-fd17a9b8-49
0.787
MAR-TRE-f5c2d31c-96
0.756
MAR-TRE-f5c2d31c-18
0.732
MAR-TRE-f5c2d31c-38
0.704
MAR-TRE-f5c2d31c-81
0.704
MAR-TRE-f5c2d31c-13
0.694
MAR-TRE-f5c2d31c-20
0.690
MAR-TRE-f5c2d31c-36
0.690
MAR-TRE-f5c2d31c-63
0.686
MAR-TRE-f5c2d31c-83
0.686
MAR-TRE-f5c2d31c-52
0.659
MAR-TRE-f5c2d31c-74
0.659
MAR-TRE-f5c2d31c-35
0.636
MAR-TRE-f5c2d31c-85
0.604
MAR-TRE-fd17a9b8-85
0.539
MAR-TRE-f5c2d31c-19
0.533
MAR-TRE-f5c2d31c-28
0.516
MAR-TRE-f5c2d31c-9
0.474
MAR-TRE-f5c2d31c-11
0.469
MAR-TRE-f5c2d31c-33
0.465
MAR-TRE-f5c2d31c-39
0.455
MAR-TRE-f5c2d31c-37
0.452
MAR-TRE-f5c2d31c-7
0.442
MAR-TRE-f5c2d31c-57
0.433
MAR-TRE-f5c2d31c-29
0.429
MAR-TRE-f5c2d31c-22
0.410
MAR-TRE-f5c2d31c-27
0.410
MAR-TRE-f5c2d31c-66
0.410
MAR-TRE-f5c2d31c-54
0.385
MAR-TRE-dab8f6ea-48
0.378
MAR-TRE-fd17a9b8-72
0.343
MAR-TRE-9c797165-83
0.337
MAR-TRE-f5c2d31c-24
0.327
CAS-DEP-751a2458-5
0.326
MAR-TRE-6a44bbf2-67
0.322
MAR-TRE-67513f76-86
0.315
MAR-TRE-f5c2d31c-12
0.308
MAR-TRE-f5c2d31c-34
0.307
AHN-SAT-de2502ba-13
0.305
MAR-TRE-6a44bbf2-83
0.305
BAR-COM-0f94fc3d-33
0.295
BAR-COM-4e090d3a-58
0.294
MAR-LAB-ca4662a6-5
0.293
MAR-TRE-f5c2d31c-8
0.292
MAR-TRE-9c797165-69
0.290
MAR-TRE-f5c2d31c-25
0.288
MAR-TRE-d0525fbf-99
0.286
MAR-TRE-9c797165-58
0.286
JOH-UNI-522b0723-10
0.284
MAR-TRE-6a44bbf2-42
0.283
MAR-TRE-9c797165-32
0.282
MAR-TRE-f5c2d31c-43
0.280
BEN-DND-93268d01-10
0.280
MAR-TRE-67513f76-60
0.277
MAR-TRE-4b834d9a-64
0.276
MAR-TRE-14ce9fd6-27
0.275
AHN-SAT-de2502ba-9
0.268
MAR-TRE-3159af1a-95
0.267
WIL-NOV-649f4ed0-2
0.265
PET-SGC-6016d8e6-1
0.261
MAR-TRE-8190bb11-100
0.260
MAR-TRE-0fda4e82-94
0.259
ANT-DIA-b7f58f21-9
0.255
WIL-NOV-649f4ed0-5
0.252
MAR-TRE-3159af1a-52
0.250
PET-SGC-276eba5a-1
0.250
MAR-TRE-c317dd82-45
0.250
MAR-TRE-3159af1a-88
0.250
BAR-COM-4e090d3a-54
0.248
JOH-UNI-abdb2f0c-3
0.247
AGN-NEW-051944a9-4
0.246
JOH-UNI-abdb2f0c-2
0.246
MAR-TRE-3159af1a-71
0.245
MAR-TRE-dab8f6ea-39
0.245
MAR-TRE-8190bb11-7
0.245
AGN-NEW-051944a9-2
0.244
MAR-TRE-3159af1a-17
0.243
ALP-POS-a3de0cb1-12
0.242
ALE-HEI-f28a35b5-13
0.242
MAR-TRE-3159af1a-82
0.241
MAR-TRE-fd17a9b8-97
0.241
MAR-TRE-dab8f6ea-19
0.241
SAD-SAT-7d5528d9-1
0.241
MAR-TRE-9c797165-3
0.240
WIL-LEE-23e8b574-8
0.240
GAB-FAC-880f6604-1
0.239
ALP-POS-780445ae-1
0.238
BEN-DND-6de5dfa0-16
0.238
NIR-THE-b7e8e081-2
0.238
ALE-HEI-f28a35b5-11
0.237
DAR-DIA-fb20be43-18
0.237
DAR-DIA-fb20be43-17
0.237
MAR-TRE-d0525fbf-87
0.237
SCO-VAN-260d9628-4
0.236
AAR-UNI-c25c2f1e-98
0.236
JOR-UNI-61e7b1d5-17
0.236
ROB-UNI-b2e39629-12
0.235
PET-SGC-cb83a00c-1
0.235