Molecular Properties | |
SMILES: | O=C(CN1C(=O)CSc2ncccc21)NCCCN1CCOCC1 |
MW: | 350.14 |
Fraction sp3: | 0.56 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 74.77 |
cLogP: | 0.36 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7311492500 |
MolPort: | MolPort-007-676-911 |
Aliphatic long chain
Long aliphatic chain
MAR-TRE-67513f76-19
0.831
MAR-TRE-9c797165-64
0.729
MAR-TRE-74c6519b-93
0.686
MAR-TRE-67513f76-29
0.556
MAR-TRE-4b834d9a-68
0.536
MAR-TRE-d0525fbf-52
0.521
MAR-TRE-4b834d9a-94
0.510
MAR-TRE-4b834d9a-70
0.500
MAR-TRE-d0525fbf-69
0.495
MAR-TRE-67513f76-15
0.480
MAR-TRE-4b834d9a-53
0.475
MAR-TRE-d0525fbf-36
0.467
MAR-TRE-7f7bb9f0-88
0.455
MAR-TRE-3e4e6814-84
0.429
MAR-TRE-9c797165-50
0.422
MAR-TRE-4b834d9a-66
0.417
MAR-TRE-74c6519b-98
0.416
MAR-TRE-d0525fbf-26
0.414
MAR-TRE-fd17a9b8-20
0.410
MAR-TRE-d0525fbf-80
0.398
MAR-TRE-fd17a9b8-68
0.396
MAR-TRE-3e4e6814-97
0.394
MAR-TRE-7f7bb9f0-71
0.374
MAR-TRE-3e4e6814-25
0.374
MAR-TRE-7f7bb9f0-80
0.324
MAR-TRE-fd17a9b8-87
0.316
MAR-TRE-3e4e6814-26
0.310
MAR-TRE-67513f76-72
0.310
MAR-TRE-3e4e6814-17
0.295
MAR-TRE-7f7bb9f0-51
0.294
MAR-TRE-67513f76-34
0.292
MAR-TRE-4b834d9a-91
0.291
MAR-TRE-04c86cea-89
0.291
MAR-LAB-ff9967db-17
0.287
MAR-TRE-9c797165-81
0.283
MAR-TRE-9c797165-54
0.282
SIM-DEM-2843056b-1
0.279
MAR-TRE-2fd8122f-43
0.276
MAR-TRE-67513f76-5
0.276
MAR-TRE-7f7bb9f0-60
0.276
MAR-TRE-67513f76-50
0.273
MAR-TRE-7f7bb9f0-36
0.272
JUA-UNI-bc099708-3
0.266
BAR-COM-4e090d3a-54
0.265
MAR-TRE-fd17a9b8-7
0.264
MAR-TRE-67513f76-10
0.264
MED-COV-4280ac29-22
0.264
MAR-TRE-d0525fbf-51
0.263
ALP-POS-02c6a514-55
0.262
MAR-TRE-67513f76-18
0.262
MAR-LAB-ca4662a6-5
0.260
MAR-TRE-67513f76-40
0.259
MAR-TRE-9c797165-53
0.259
ALP-POS-88a7a97e-47
0.258
MAR-TRE-a3327163-23
0.258
MAR-TRE-7f7bb9f0-65
0.257
MAR-TRE-9c797165-65
0.257
MAR-TRE-d0525fbf-39
0.256
MAR-TRE-c317dd82-69
0.255
MAR-TRE-04c86cea-47
0.252
MAR-TRE-3e4e6814-80
0.252
MAR-TRE-3e4e6814-16
0.250
LON-WEI-adc59df6-25
0.248
BEN-DND-93268d01-10
0.247
MAR-TRE-fd17a9b8-66
0.247
MAR-TRE-67513f76-62
0.246
MAR-TRE-3e4e6814-60
0.246
JOR-UNI-2fc98d0b-6
0.246
MAR-TRE-9c797165-72
0.245
MAR-TRE-b77b7921-99
0.243
JOR-UNI-61e7b1d5-17
0.242
MAK-UNK-987948f6-10
0.241
MAR-TRE-9c797165-78
0.241
MAR-TRE-9c797165-6
0.241
MAR-TRE-4b834d9a-45
0.241
MAR-TRE-2fd8122f-91
0.241
KEI-TRE-d5e2018a-37
0.241
MAR-TRE-7f7bb9f0-17
0.241
MAR-TRE-b77b7921-47
0.240
MAR-TRE-4b834d9a-7
0.239
MAR-TRE-67513f76-2
0.239
DAR-DIA-43a5904b-16
0.238
JOR-UNI-61e7b1d5-16
0.237
LON-WEI-5e7d1b3e-16
0.237
LON-WEI-4d77710c-16
0.237
MAT-POS-2492181e-11
0.237
JON-UNI-57097b3f-6
0.237
MAR-TRE-a9136c7b-11
0.237
MAT-POS-b5746674-109
0.237
SAD-SAT-7d5528d9-1
0.236
MAR-TRE-7f7bb9f0-39
0.236
MAR-TRE-9c797165-3
0.236
MAR-TRE-d0525fbf-57
0.236
MAR-TRE-4b834d9a-85
0.235
MAR-TRE-6a44bbf2-67
0.235
ALP-POS-780445ae-1
0.234
MAK-UNK-987948f6-12
0.234
MAK-UNK-be5ffcbc-7
0.234
MAR-TRE-d0525fbf-96
0.234
BAR-COM-4e090d3a-45
0.234