Molecular Properties | |
SMILES: | Cc1nc(NCCNC(=O)Nc2ccccc2C)cc(N2CCOCC2)n1 |
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-3610051644 |
MolPort: | MolPort-021-776-985 |
Aliphatic long chain
MAR-TRE-f5c2d31c-66
0.750
MAR-TRE-f5c2d31c-29
0.738
MAR-TRE-f5c2d31c-54
0.682
MAR-TRE-f5c2d31c-22
0.667
MAR-TRE-f5c2d31c-27
0.667
MAR-TRE-f5c2d31c-19
0.651
MAR-TRE-f5c2d31c-11
0.647
MAR-TRE-f5c2d31c-9
0.635
MAR-TRE-f5c2d31c-37
0.634
MAR-TRE-f5c2d31c-28
0.628
MAR-TRE-f5c2d31c-7
0.619
MAR-TRE-f5c2d31c-39
0.607
MAR-TRE-f5c2d31c-33
0.600
MAR-TRE-fd17a9b8-72
0.545
MAR-TRE-f5c2d31c-74
0.505
MAR-TRE-f5c2d31c-43
0.495
MAR-TRE-f5c2d31c-52
0.489
MAR-TRE-f5c2d31c-34
0.489
MAR-TRE-f5c2d31c-12
0.484
MAR-TRE-f5c2d31c-25
0.478
MAR-TRE-f5c2d31c-8
0.462
MAR-TRE-f5c2d31c-85
0.450
MAR-TRE-f5c2d31c-35
0.444
MAR-TRE-f5c2d31c-42
0.439
MAR-TRE-f5c2d31c-99
0.433
MAR-TRE-f5c2d31c-96
0.417
MAR-TRE-f5c2d31c-18
0.410
MAR-TRE-f5c2d31c-36
0.410
MAR-TRE-f5c2d31c-70
0.406
MAR-TRE-fd17a9b8-49
0.406
MAR-TRE-f5c2d31c-81
0.398
MAR-TRE-f5c2d31c-13
0.388
MAR-TRE-f5c2d31c-63
0.385
MAR-TRE-f5c2d31c-83
0.385
MAR-TRE-f5c2d31c-38
0.384
MAR-TRE-f5c2d31c-20
0.382
MAR-TRE-fd17a9b8-85
0.320
AAR-UNI-c25c2f1e-42
0.311
MAR-TRE-f5c2d31c-79
0.307
BAR-COM-0f94fc3d-33
0.298
MAR-TRE-6a44bbf2-67
0.297
MAR-TRE-dab8f6ea-33
0.284
MAR-TRE-6a44bbf2-83
0.281
AHN-SAT-de2502ba-13
0.281
LON-WEI-4d77710c-75
0.280
LON-WEI-5e7d1b3e-75
0.280
MAR-TRE-3159af1a-82
0.277
MAR-TRE-0fda4e82-60
0.276
JOH-UNI-522b0723-10
0.275
MAR-TRE-3159af1a-52
0.274
ALE-HEI-f28a35b5-13
0.273
BAR-COM-4e090d3a-58
0.272
MAR-TRE-3159af1a-71
0.271
MAR-TRE-9c797165-83
0.271
AHN-SAT-de2502ba-9
0.271
MAR-TRE-3159af1a-17
0.270
MAR-LAB-ca4662a6-5
0.269
MAT-POS-2492181e-11
0.266
LON-WEI-5e7d1b3e-16
0.266
MAT-POS-b5746674-109
0.266
LON-WEI-4d77710c-16
0.266
WJF-WAB-5e8b96ca-1
0.266
MAR-TRE-67513f76-86
0.263
MAR-TRE-0fda4e82-85
0.262
MAK-UNK-6ca90168-10
0.261
MAR-TRE-0fda4e82-54
0.259
MAR-TRE-3159af1a-95
0.259
AHN-SAT-de2502ba-12
0.258
MAR-TRE-6a44bbf2-20
0.258
SAD-SAT-65574d3f-8
0.258
ANT-DIA-b7f58f21-9
0.257
MAR-TRE-3159af1a-28
0.257
DAR-DIA-ecdbc7dd-10
0.256
BEN-DND-93268d01-10
0.255
WIL-NOV-649f4ed0-2
0.255
MAR-TRE-3e4e6814-32
0.254
ALP-POS-a3de0cb1-12
0.254
MAR-TRE-4b834d9a-64
0.253
MAR-TRE-dab8f6ea-48
0.252
MAR-TRE-3159af1a-88
0.252
PET-SGC-276eba5a-1
0.252
TAM-UNI-d1c3dd9f-21
0.250
BOG-INS-bdba9cfb-1
0.250
MAR-TRE-f6f5f473-5
0.248
ROB-UNI-b2e39629-12
0.248
MAR-TRE-9c797165-32
0.248
MAR-TRE-6a44bbf2-42
0.248
SAD-SAT-7d5528d9-4
0.245
MAR-TRE-dab8f6ea-43
0.245
SAM-UNK-2684b532-8
0.245
MAR-TRE-dab8f6ea-21
0.245
MAT-POS-61f37a1a-8
0.245
KAD-UNI-cb0f2bbc-17
0.245
KAD-UNI-cb0f2bbc-18
0.244
MAT-POS-61f37a1a-9
0.244
BAR-COM-4e090d3a-17
0.243
SAD-SAT-7d5528d9-1
0.243
MAR-TRE-9c797165-3
0.243
MAR-TRE-67513f76-60
0.243
WIL-NOV-649f4ed0-5
0.243