Molecular Properties | |
SMILES: | O=C(NCCNc1cc(N2CCOCC2)ncn1)Nc1ccc(F)cc1 |
MW: | 360.17 |
Fraction sp3: | 0.35 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 91.41 |
cLogP: | 1.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1758573195 |
MolPort: | MolPort-020-183-788 |
Aliphatic long chain
MAR-TRE-f5c2d31c-81
0.813
MAR-TRE-f5c2d31c-96
0.800
MAR-TRE-f5c2d31c-20
0.728
MAR-TRE-f5c2d31c-70
0.720
MAR-TRE-fd17a9b8-49
0.720
MAR-TRE-f5c2d31c-13
0.711
MAR-TRE-f5c2d31c-99
0.704
MAR-TRE-f5c2d31c-42
0.687
MAR-TRE-f5c2d31c-18
0.667
MAR-TRE-f5c2d31c-36
0.667
MAR-TRE-f5c2d31c-83
0.663
MAR-TRE-f5c2d31c-63
0.644
MAR-TRE-f5c2d31c-52
0.635
MAR-TRE-f5c2d31c-85
0.618
MAR-TRE-f5c2d31c-74
0.616
MAR-TRE-f5c2d31c-35
0.614
MAR-TRE-fd17a9b8-85
0.552
MAR-TRE-f5c2d31c-7
0.467
MAR-TRE-f5c2d31c-28
0.463
MAR-TRE-f5c2d31c-27
0.448
MAR-TRE-f5c2d31c-19
0.447
MAR-TRE-f5c2d31c-37
0.446
MAR-TRE-f5c2d31c-33
0.430
MAR-TRE-f5c2d31c-9
0.423
MAR-TRE-f5c2d31c-11
0.418
MAR-TRE-f5c2d31c-29
0.408
MAR-TRE-f5c2d31c-39
0.406
MAR-TRE-f5c2d31c-54
0.392
MAR-TRE-f5c2d31c-22
0.390
MAR-TRE-f5c2d31c-24
0.388
GAB-FAC-880f6604-1
0.385
MAR-TRE-f5c2d31c-57
0.384
MAR-TRE-f5c2d31c-66
0.376
MAR-TRE-f5c2d31c-25
0.347
MAR-TRE-dab8f6ea-48
0.343
MAR-TRE-9c797165-83
0.330
MAR-TRE-6a44bbf2-47
0.330
MAR-TRE-6a44bbf2-67
0.330
MAR-TRE-fd17a9b8-72
0.324
MAR-TRE-f5c2d31c-8
0.324
MAR-TRE-67513f76-86
0.322
MAR-TRE-9c797165-69
0.311
MAR-TRE-67513f76-60
0.309
MAR-TRE-4b834d9a-64
0.309
MAR-TRE-9c797165-58
0.305
ISA-SCH-8e98219b-2
0.292
JOH-UNI-522b0723-10
0.290
MAR-TRE-f5c2d31c-34
0.287
MAR-TRE-9c797165-32
0.287
MAR-TRE-f5c2d31c-43
0.286
CAS-DEP-751a2458-6
0.281
MAR-TRE-d0525fbf-99
0.279
MAR-TRE-6a44bbf2-85
0.279
MAR-TRE-f5c2d31c-12
0.276
MAR-TRE-8190bb11-7
0.276
MAR-TRE-6a44bbf2-42
0.276
BAR-COM-4e090d3a-58
0.275
MAR-TRE-7f7bb9f0-26
0.272
AHN-SAT-de2502ba-13
0.271
MAR-TRE-6a44bbf2-83
0.271
AAR-UNI-c25c2f1e-79
0.269
MAR-TRE-fd17a9b8-97
0.268
MAR-TRE-a3327163-54
0.267
MAK-UNK-be5ffcbc-7
0.267
MAR-TRE-dab8f6ea-39
0.262
MAR-TRE-3e4e6814-16
0.259
MAR-TRE-9c797165-3
0.257
MAR-TRE-7f7bb9f0-93
0.255
KUS-THE-322b9b63-25
0.254
NIM-UNI-310206f0-7
0.253
JOH-UNI-abdb2f0c-3
0.253
MAR-TRE-6c5ef77a-66
0.253
BAR-COM-0f94fc3d-33
0.252
MAR-TRE-e86a56b5-38
0.250
MAR-TRE-c317dd82-23
0.250
DAN-MCD-c163c0bb-1
0.248
AHN-SAT-de2502ba-4
0.247
MAR-TRE-6a44bbf2-100
0.247
MAR-TRE-dab8f6ea-19
0.245
WIL-NOV-649f4ed0-2
0.245
AAR-UNI-c25c2f1e-97
0.245
GIA-UNK-3f36037a-2
0.244
MAT-POS-162a9720-4
0.244
SAD-SAT-f25ee457-3
0.243
MAR-TRE-c317dd82-45
0.243
MAR-TRE-67513f76-9
0.243
MAR-TRE-dab8f6ea-29
0.242
JOH-UNI-c7afdb96-14
0.242
BAR-COM-4e090d3a-54
0.241
JUL-TUD-06b2044f-151
0.241
SAD-SAT-135344c3-1
0.241
ALP-POS-d0876c20-12
0.240
PET-SGC-cb83a00c-1
0.240
MAR-TRE-3159af1a-95
0.239
MAR-TRE-7f7bb9f0-77
0.239
JOH-UNI-abdb2f0c-2
0.239
MAR-TRE-6a44bbf2-90
0.239
MAT-POS-ee51dedd-3
0.239
MAR-TRE-3159af1a-18
0.239
MAR-TRE-c317dd82-13
0.238