Molecular Properties | |
SMILES: | Cc1ccc(NC(=O)NCCNc2cc(N3CCOCC3)ncn2)cc1 |
MW: | 356.2 |
Fraction sp3: | 0.39 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 91.41 |
cLogP: | 1.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2168134030 |
MolPort: | MolPort-023-314-615 |
Aliphatic long chain
MAR-TRE-f5c2d31c-38
0.800
MAR-TRE-f5c2d31c-81
0.800
MAR-TRE-f5c2d31c-99
0.756
MAR-TRE-f5c2d31c-18
0.738
MAR-TRE-f5c2d31c-42
0.738
MAR-TRE-fd17a9b8-49
0.728
MAR-TRE-f5c2d31c-70
0.728
MAR-TRE-f5c2d31c-52
0.704
MAR-TRE-f5c2d31c-13
0.679
MAR-TRE-f5c2d31c-35
0.679
MAR-TRE-f5c2d31c-20
0.675
MAR-TRE-f5c2d31c-36
0.675
MAR-TRE-f5c2d31c-63
0.671
MAR-TRE-f5c2d31c-83
0.671
MAR-TRE-f5c2d31c-74
0.643
MAR-TRE-f5c2d31c-85
0.625
MAR-TRE-fd17a9b8-85
0.558
MAR-TRE-f5c2d31c-19
0.484
MAR-TRE-f5c2d31c-37
0.483
MAR-TRE-f5c2d31c-9
0.473
MAR-TRE-f5c2d31c-28
0.468
MAR-TRE-f5c2d31c-29
0.457
MAR-TRE-f5c2d31c-7
0.457
MAR-TRE-f5c2d31c-11
0.453
MAR-TRE-f5c2d31c-33
0.449
MAR-TRE-f5c2d31c-39
0.439
MAR-TRE-f5c2d31c-22
0.438
MAR-TRE-f5c2d31c-27
0.423
MAR-TRE-f5c2d31c-57
0.417
MAR-TRE-f5c2d31c-66
0.408
MAR-TRE-f5c2d31c-54
0.396
MAR-TRE-dab8f6ea-48
0.361
MAR-TRE-f5c2d31c-34
0.358
MAR-TRE-fd17a9b8-72
0.354
MAR-TRE-f5c2d31c-24
0.337
MAR-TRE-9c797165-83
0.333
MAR-TRE-6a44bbf2-67
0.333
MAR-TRE-f5c2d31c-12
0.330
MAR-LAB-ca4662a6-9
0.329
MAR-TRE-67513f76-86
0.326
MAR-TRE-6a44bbf2-12
0.326
MAR-TRE-f5c2d31c-8
0.301
MAR-TRE-9c797165-69
0.300
MAR-TRE-67513f76-60
0.299
MAR-TRE-f5c2d31c-25
0.297
MAR-TRE-9c797165-58
0.295
JOH-UNI-522b0723-10
0.293
BAR-COM-4e090d3a-58
0.290
MAR-TRE-9c797165-32
0.290
MAR-TRE-f5c2d31c-43
0.288
AHN-SAT-de2502ba-13
0.287
MAR-TRE-6a44bbf2-83
0.287
MAR-TRE-4b834d9a-64
0.284
MAR-TRE-d0525fbf-99
0.282
GAB-FAC-880f6604-1
0.282
BAR-COM-0f94fc3d-33
0.279
MAR-TRE-6a44bbf2-42
0.278
MAR-TRE-14ce9fd6-78
0.271
MAR-TRE-fd17a9b8-97
0.270
JOH-UNI-abdb2f0c-3
0.269
MAR-TRE-8190bb11-7
0.265
MAR-TRE-dab8f6ea-39
0.265
MAR-TRE-3159af1a-71
0.264
MAR-TRE-3159af1a-95
0.263
MAR-TRE-3159af1a-17
0.263
MAR-TRE-9c797165-3
0.260
WIL-NOV-649f4ed0-2
0.260
MAR-TRE-3159af1a-82
0.259
MAR-TRE-3159af1a-88
0.257
MAR-TRE-3e4e6814-13
0.254
MAR-TRE-dab8f6ea-13
0.252
JOR-UNI-61e7b1d5-17
0.252
SAD-SAT-f0a2747f-5
0.250
ANT-DIA-b7f58f21-9
0.250
AHN-SAT-de2502ba-9
0.250
JOR-UNI-61e7b1d5-4
0.250
MAR-TRE-3e4e6814-16
0.250
MAR-TRE-dab8f6ea-19
0.248
WIL-NOV-649f4ed0-5
0.248
MAR-LAB-ca4662a6-5
0.247
BEN-DND-93268d01-10
0.247
GIA-UNK-3f36037a-2
0.247
JOH-UNI-c7afdb96-11
0.247
MAR-TRE-3159af1a-52
0.246
MAR-TRE-c317dd82-45
0.245
TRI-UNI-97428359-2
0.245
MAR-TRE-f6f5f473-56
0.245
MAR-TRE-4f781e27-67
0.243
MAR-TRE-8190bb11-100
0.243
AGN-NEW-051944a9-4
0.242
PET-SGC-cb83a00c-1
0.242
AAR-UNI-c25c2f1e-30
0.242
JOH-UNI-abdb2f0c-2
0.241
MAR-TRE-3e4e6814-48
0.241
AGN-NEW-051944a9-2
0.241
MAR-TRE-0fda4e82-96
0.240
MAR-TRE-c8530538-38
0.240
MAR-TRE-c317dd82-13
0.240
MAR-TRE-c317dd82-22
0.239
MAR-TRE-3159af1a-28
0.239