Molecular Properties | |
SMILES: | CCC(c1cccnc1)N(C)C(=O)NCCc1nc(C)cc(=O)[nH]1 |
MW: | 329.19 |
Fraction sp3: | 0.41 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 90.98 |
cLogP: | 1.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9414426060 |
MolPort: | MolPort-042-640-118 |
Long aliphatic chain
MAR-TRE-c8530538-2
0.532
MAR-TRE-c8530538-54
0.517
MAR-TRE-c8530538-17
0.512
MAR-TRE-c8530538-45
0.443
MAR-TRE-c8530538-39
0.440
MAR-TRE-c8530538-35
0.429
MAR-TRE-c8530538-53
0.429
MAR-TRE-c8530538-79
0.426
MAR-TRE-c8530538-69
0.413
MAR-TRE-c8530538-52
0.413
MAR-TRE-c8530538-29
0.408
MAR-TRE-c8530538-87
0.385
MAR-TRE-c8530538-84
0.378
MAR-TRE-c8530538-24
0.375
MAR-TRE-c8530538-83
0.371
MAR-TRE-c8530538-67
0.370
MAR-TRE-c8530538-70
0.370
MAR-TRE-c8530538-10
0.339
MAR-TRE-c8530538-80
0.324
MAR-TRE-c8530538-44
0.323
ALP-POS-e980f4ea-19
0.322
ALP-POS-e980f4ea-27
0.319
ALP-POS-e980f4ea-53
0.315
ALP-POS-305f6ec3-39
0.314
ALP-POS-e980f4ea-49
0.314
ALP-POS-e980f4ea-28
0.312
RYA-UNI-f4a878f6-1
0.312
KHR-WEI-75c61062-2
0.311
ALP-POS-e980f4ea-18
0.306
ALP-POS-e980f4ea-52
0.305
ALP-POS-e980f4ea-37
0.305
ALP-POS-e980f4ea-39
0.303
ALP-POS-305f6ec3-52
0.303
ALP-POS-305f6ec3-59
0.302
ALP-POS-e980f4ea-38
0.301
NIM-UNI-bb9030bf-4
0.300
ALP-POS-e980f4ea-2
0.300
ALP-POS-305f6ec3-33
0.300
PET-UNK-48ab5cd7-2
0.299
ALP-POS-42f3de95-1
0.299
ALP-POS-e980f4ea-9
0.299
ALP-POS-e980f4ea-64
0.298
ALP-POS-e980f4ea-63
0.298
ALP-POS-305f6ec3-20
0.298
ALP-POS-305f6ec3-6
0.297
KHR-WEI-75c61062-1
0.296
ALP-POS-e980f4ea-8
0.296
ALP-POS-305f6ec3-45
0.296
ALP-POS-e980f4ea-21
0.296
MAR-TRE-c8530538-14
0.296
ALP-POS-e980f4ea-7
0.295
ALP-POS-305f6ec3-8
0.295
ALP-POS-e980f4ea-67
0.294
BRU-THA-92256091-19
0.294
ALP-POS-305f6ec3-2
0.294
ALP-POS-e980f4ea-65
0.294
ERI-UCB-fbdd3ea1-9
0.294
NIM-NMI-8bb27a2b-4
0.294
MAR-TRE-c8530538-18
0.294
NIM-UNI-bb9030bf-6
0.293
ALP-POS-b0bc6a46-22
0.293
ALP-POS-02c6a514-37
0.293
ALP-POS-95f71980-17
0.293
LON-WEI-babf2c61-10
0.293
RAL-MED-9a5eb9cb-6
0.293
ALP-POS-e980f4ea-34
0.293
ALP-POS-e980f4ea-44
0.293
ALP-POS-e980f4ea-1
0.292
ALP-POS-ced8ea4d-18
0.292
LON-WEI-2e27a2e5-2
0.292
ALP-POS-e980f4ea-51
0.292
ALP-POS-e980f4ea-12
0.292
ALP-POS-e980f4ea-11
0.292
ALP-POS-ced8ea4d-19
0.292
BRU-THA-92256091-2
0.292
ALP-POS-e980f4ea-5
0.292
ALP-POS-e980f4ea-47
0.291
ALP-POS-e980f4ea-50
0.291
NIM-NMI-8bb27a2b-2
0.291
BRU-THA-92256091-24
0.291
ALP-POS-e980f4ea-46
0.290
ALP-POS-305f6ec3-42
0.290
BRU-THA-92256091-31
0.289
ALP-POS-305f6ec3-28
0.289
ALP-POS-305f6ec3-57
0.289
BRU-THA-92256091-54
0.289
ALP-POS-ced8ea4d-27
0.288
ALP-POS-e980f4ea-22
0.288
ALP-POS-e980f4ea-13
0.288
BRU-THA-92256091-12
0.288
JAN-GHE-76def03c-2
0.287
ALP-POS-e980f4ea-62
0.287
ALP-POS-305f6ec3-50
0.287
ALP-POS-ced8ea4d-49
0.287
ALP-POS-02c6a514-51
0.287
ALP-POS-e980f4ea-25
0.287
BRU-THA-92256091-63
0.287
ALP-POS-e980f4ea-17
0.286
ALP-POS-02c6a514-25
0.286
ALP-POS-e980f4ea-41
0.286