Molecular Properties | |
SMILES: | Cc1nc(NCCNC(=O)Nc2cccc(F)c2C)cc(N2CCOCC2)n1 |
MW: | 388.2 |
Fraction sp3: | 0.42 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 91.41 |
cLogP: | 2.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1103177954 |
MolPort: | MolPort-019-798-623 |
Aliphatic long chain
MAR-TRE-f5c2d31c-27
0.686
MAR-TRE-f5c2d31c-85
0.685
MAR-TRE-f5c2d31c-57
0.682
MAR-TRE-f5c2d31c-66
0.667
MAR-TRE-f5c2d31c-29
0.636
MAR-TRE-f5c2d31c-28
0.629
MAR-TRE-f5c2d31c-22
0.629
MAR-TRE-f5c2d31c-7
0.621
MAR-TRE-f5c2d31c-9
0.618
MAR-TRE-f5c2d31c-11
0.611
MAR-TRE-f5c2d31c-39
0.609
MAR-TRE-f5c2d31c-33
0.602
MAR-TRE-f5c2d31c-37
0.598
MAR-TRE-f5c2d31c-19
0.596
MAR-TRE-f5c2d31c-43
0.533
MAR-TRE-fd17a9b8-72
0.533
MAR-TRE-f5c2d31c-8
0.500
MAR-TRE-f5c2d31c-25
0.484
MAR-TRE-f5c2d31c-12
0.474
MAR-TRE-f5c2d31c-34
0.462
MAR-TRE-f5c2d31c-74
0.450
MAR-TRE-f5c2d31c-35
0.423
MAR-TRE-f5c2d31c-52
0.422
MAR-TRE-f5c2d31c-70
0.413
MAR-TRE-fd17a9b8-49
0.413
MAR-TRE-f5c2d31c-13
0.410
MAR-TRE-f5c2d31c-20
0.404
MAR-TRE-f5c2d31c-42
0.404
MAR-TRE-f5c2d31c-18
0.404
MAR-TRE-f5c2d31c-96
0.396
MAR-TRE-f5c2d31c-63
0.393
MAR-TRE-f5c2d31c-83
0.393
MAR-TRE-f5c2d31c-38
0.392
MAR-TRE-f5c2d31c-81
0.392
MAR-TRE-f5c2d31c-36
0.390
MAR-TRE-f5c2d31c-99
0.385
MAR-TRE-3159af1a-55
0.357
MAR-TRE-fd17a9b8-85
0.318
MAR-TRE-f5c2d31c-79
0.305
MAR-TRE-3159af1a-82
0.298
MAR-TRE-0fda4e82-90
0.295
LON-WEI-d1c9908a-9
0.291
MAR-TRE-3159af1a-17
0.282
MAR-TRE-6a44bbf2-67
0.281
LON-WEI-b8d98729-36
0.279
MAR-TRE-3159af1a-52
0.274
BAR-COM-0f94fc3d-33
0.273
MAR-TRE-dab8f6ea-33
0.272
BAR-COM-4e090d3a-58
0.271
LON-WEI-d1c9908a-13
0.270
MAR-TRE-3159af1a-71
0.270
MAR-TRE-3159af1a-95
0.258
MAR-TRE-9c797165-83
0.257
MAR-TRE-3159af1a-28
0.257
ALP-POS-305f6ec3-22
0.255
MAR-TRE-6a44bbf2-83
0.255
AHN-SAT-de2502ba-13
0.255
WIL-NOV-649f4ed0-2
0.255
ALP-POS-a3de0cb1-12
0.254
MAR-TRE-3159af1a-88
0.252
BOG-INS-bdba9cfb-1
0.250
NIM-UNI-310206f0-7
0.250
MAR-TRE-67513f76-86
0.250
JOH-UNI-522b0723-10
0.250
ALP-POS-95f71980-19
0.250
ALP-POS-d0876c20-6
0.248
ALP-POS-d0876c20-12
0.248
ANT-DIA-b7f58f21-9
0.245
MAR-TRE-6a44bbf2-100
0.245
AHN-SAT-de2502ba-4
0.245
AHN-SAT-de2502ba-9
0.245
LON-WEI-5e7d1b3e-16
0.243
MAT-POS-b5746674-109
0.243
LON-WEI-4d77710c-16
0.243
MAT-POS-2492181e-11
0.243
WIL-NOV-649f4ed0-5
0.243
MAR-LAB-ca4662a6-5
0.242
PET-SGC-276eba5a-1
0.242
MAR-TRE-dab8f6ea-42
0.240
TAM-UNI-d1c3dd9f-21
0.239
MAR-TRE-9c797165-58
0.238
PET-SGC-cb83a00c-1
0.238
ROB-UNI-b2e39629-12
0.237
DAR-DIA-ecdbc7dd-10
0.237
MAT-POS-61f37a1a-8
0.236
KAD-UNI-cb0f2bbc-17
0.236
SAD-SAT-29425be4-5
0.236
MAR-TRE-9c797165-32
0.236
MAR-TRE-6a44bbf2-42
0.236
MAT-POS-61f37a1a-9
0.236
KAD-UNI-cb0f2bbc-18
0.236
PAT-GYR-de8eec61-5
0.234
SAD-SAT-65574d3f-8
0.233
AHN-SAT-de2502ba-12
0.233
MAR-TRE-6a44bbf2-20
0.233
SAD-SAT-f25ee457-9
0.233
SAD-SAT-7d5528d9-1
0.232
TAT-ENA-80bfd3e5-27
0.232
ALE-HEI-f28a35b5-13
0.232
MAR-TRE-67513f76-60
0.231