Molecular Properties | |
SMILES: | Cc1ccc(NC(=O)NCCNc2cc(N3CCOCC3)ncn2)cc1F |
MW: | 374.19 |
Fraction sp3: | 0.39 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 91.41 |
cLogP: | 1.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2809381852 |
MolPort: | MolPort-020-183-751 |
Aliphatic long chain
MAR-TRE-fd17a9b8-49
1.000
MAR-TRE-f5c2d31c-99
0.787
MAR-TRE-f5c2d31c-42
0.768
MAR-TRE-f5c2d31c-13
0.729
MAR-TRE-f5c2d31c-96
0.728
MAR-TRE-f5c2d31c-38
0.720
MAR-TRE-f5c2d31c-18
0.706
MAR-TRE-f5c2d31c-20
0.706
MAR-TRE-f5c2d31c-83
0.701
MAR-TRE-f5c2d31c-81
0.699
MAR-TRE-f5c2d31c-28
0.674
MAR-TRE-f5c2d31c-36
0.667
MAR-TRE-f5c2d31c-63
0.663
MAR-TRE-f5c2d31c-85
0.637
MAR-TRE-f5c2d31c-52
0.636
MAR-TRE-f5c2d31c-74
0.600
MAR-TRE-f5c2d31c-35
0.598
MAR-TRE-fd17a9b8-85
0.522
MAR-TRE-f5c2d31c-19
0.516
MAR-TRE-f5c2d31c-33
0.480
MAR-TRE-f5c2d31c-9
0.459
MAR-TRE-f5c2d31c-7
0.458
MAR-TRE-f5c2d31c-11
0.455
MAR-TRE-f5c2d31c-39
0.441
MAR-TRE-f5c2d31c-27
0.440
MAR-TRE-f5c2d31c-37
0.438
MAR-TRE-f5c2d31c-29
0.416
MAR-TRE-f5c2d31c-54
0.413
MAR-TRE-f5c2d31c-57
0.406
MAR-TRE-f5c2d31c-22
0.385
MAR-TRE-f5c2d31c-66
0.385
MAR-TRE-dab8f6ea-48
0.366
MAR-TRE-f5c2d31c-24
0.343
MAR-TRE-fd17a9b8-72
0.333
MAR-TRE-f5c2d31c-8
0.321
MAR-TRE-67513f76-86
0.319
MAR-TRE-9c797165-83
0.312
MAR-TRE-6a44bbf2-67
0.312
MAR-TRE-f5c2d31c-43
0.308
MAR-TRE-f5c2d31c-25
0.305
MAR-TRE-f5c2d31c-12
0.299
MAR-TRE-f5c2d31c-34
0.298
AHN-SAT-de2502ba-13
0.296
MAR-TRE-6a44bbf2-83
0.296
MAR-TRE-1c920f6f-30
0.295
WIL-UNI-1faa9b10-52
0.291
BAR-COM-0f94fc3d-33
0.287
BAR-COM-4e090d3a-58
0.286
BEN-DND-93268d01-10
0.284
MAR-TRE-9c797165-69
0.281
MAR-TRE-9c797165-58
0.277
MAR-TRE-9c797165-32
0.274
MAR-TRE-67513f76-60
0.269
MAR-TRE-4b834d9a-64
0.267
MAR-TRE-d0525fbf-99
0.267
GAB-FAC-880f6604-1
0.266
PET-SGC-276eba5a-1
0.265
JOH-UNI-522b0723-10
0.264
BAR-COM-4e090d3a-54
0.263
MAR-TRE-6a44bbf2-42
0.262
AHN-SAT-de2502ba-9
0.260
PET-SGC-6016d8e6-1
0.254
NIM-UNI-310206f0-7
0.253
MAR-TRE-8190bb11-100
0.252
MAR-TRE-c317dd82-23
0.250
MAR-TRE-67513f76-88
0.250
MAR-TRE-3159af1a-95
0.250
WIL-NOV-649f4ed0-2
0.245
MAR-LAB-ca4662a6-5
0.245
MAR-TRE-3159af1a-64
0.244
MAR-TRE-3159af1a-88
0.244
MAK-UNK-be5ffcbc-7
0.243
NIR-THE-b7e8e081-2
0.243
BEN-DND-6de5dfa0-16
0.243
JOH-UNI-abdb2f0c-3
0.240
MAR-TRE-6a44bbf2-16
0.239
MAR-TRE-3159af1a-71
0.239
MAR-TRE-dab8f6ea-39
0.239
BEN-DND-09b88bf4-8
0.238
MAR-TRE-8190bb11-7
0.238
MIC-UNK-2744a8e2-8
0.237
ANT-DIA-b7f58f21-9
0.236
MAR-TRE-3159af1a-17
0.236
MAR-TRE-fd17a9b8-97
0.235
AHN-SAT-de2502ba-4
0.235
MAR-TRE-6a44bbf2-100
0.235
MAR-TRE-3159af1a-82
0.235
SAD-SAT-f25ee457-9
0.235
MAR-TRE-dab8f6ea-19
0.235
SAD-SAT-7d5528d9-1
0.234
ALE-HEI-f28a35b5-13
0.234
MAR-TRE-9c797165-3
0.234
WIL-LEE-1f71e281-1
0.234
WIL-NOV-649f4ed0-5
0.234
SAD-SAT-f25ee457-3
0.233
MAR-TRE-3159af1a-52
0.233
WIL-LEE-23e8b574-8
0.233
MAR-TRE-c317dd82-45
0.233
ALP-POS-780445ae-1
0.233
JOH-UNI-9dc98897-3
0.232