Molecular Properties | |
SMILES: | COc1ccc(N(C(=O)CCl)C(C(=O)NC2CCCCC2)c2cccnc2)cc1Cl |
MW: | 450.366 |
Fraction sp3: | 0.41 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 71.53 |
cLogP: | 4.5056 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6306621138 |
MolPort: | MolPort-030-082-622 |
Long aliphatic chain
AAR-POS-d2a4d1df-1
JAN-GHE-76def03c-3
0.711
LON-WEI-adc59df6-8
0.505
NIM-NMI-8bb27a2b-15
0.485
LON-WEI-adc59df6-35
0.470
MAR-LAB-efb042c5-2
0.464
BRU-THA-40a53a3c-1
0.458
NIM-NMI-8bb27a2b-1
0.453
ERI-UCB-fbdd3ea1-5
0.453
RAL-MED-9a5eb9cb-15
0.451
LON-WEI-adc59df6-14
0.450
JAN-GHE-d851b096-7
0.435
ALP-POS-88a7a97e-28
0.426
ERI-UCB-fbdd3ea1-6
0.421
LON-WEI-adc59df6-44
0.416
ALP-POS-88a7a97e-45
0.407
ERI-UCB-fbdd3ea1-7
0.402
NIM-NMI-8bb27a2b-17
0.398
ALP-POS-88a7a97e-12
0.385
LON-WEI-adc59df6-39
0.385
ALP-POS-b0bc6a46-14
0.376
ALP-POS-02c6a514-23
0.376
NIM-NMI-8bb27a2b-3
0.374
MAR-LAB-ff9967db-38
0.371
LON-WEI-adc59df6-1
0.369
LON-WEI-adc59df6-6
0.365
ALP-POS-88a7a97e-9
0.362
NAM-UNK-f7c77a48-2
0.358
JAN-GHE-76def03c-2
0.358
ALP-POS-02c6a514-29
0.349
ALP-POS-b0bc6a46-18
0.349
LON-WEI-adc59df6-26
0.349
RAL-MED-9a5eb9cb-1
0.348
RAL-MED-9a5eb9cb-8
0.345
ALP-POS-88a7a97e-15
0.345
KEI-TRE-d5e2018a-54
0.343
ALP-POS-88a7a97e-31
0.342
ALP-POS-88a7a97e-34
0.342
ERI-UCB-fbdd3ea1-8
0.342
ALP-POS-88a7a97e-6
0.341
LON-WEI-adc59df6-45
0.339
LON-WEI-b8d98729-25
0.339
ALP-POS-88a7a97e-30
0.336
LON-WEI-b8d98729-12
0.333
LON-WEI-adc59df6-18
0.333
ALP-POS-88a7a97e-39
0.331
LON-WEI-adc59df6-73
0.330
ALP-POS-88a7a97e-37
0.328
ALP-POS-88a7a97e-23
0.328
ALP-POS-88a7a97e-40
0.328
ALP-POS-88a7a97e-24
0.328
ALP-POS-88a7a97e-25
0.328
ALP-POS-02c6a514-5
0.328
ALP-POS-b0bc6a46-5
0.328
ALP-POS-02c6a514-40
0.328
LON-WEI-b8d98729-28
0.328
LON-WEI-adc59df6-37
0.328
LON-WEI-adc59df6-12
0.328
LON-WEI-adc59df6-22
0.328
KEI-TRE-d5e2018a-59
0.327
LON-WEI-b8d98729-1
0.325
ALP-POS-88a7a97e-43
0.325
ALP-POS-88a7a97e-11
0.325
LON-WEI-b8d98729-26
0.325
KEI-TRE-d5e2018a-50
0.325
LON-WEI-b8d98729-47
0.325
LON-WEI-adc59df6-42
0.324
WIL-UNI-de614146-1
0.323
ALP-POS-305f6ec3-3
0.323
ALE-HEI-f28a35b5-8
0.323
LON-WEI-b8d98729-44
0.322
LON-WEI-8f408cad-10
0.322
BRU-LEF-973da26b-1
0.321
JAN-GHE-d851b096-8
0.321
ALP-POS-02c6a514-41
0.320
ALP-POS-b0bc6a46-25
0.320
ALP-POS-88a7a97e-36
0.320
LON-WEI-b8d98729-40
0.319
LON-WEI-adc59df6-24
0.319
LON-WEI-b8d98729-22
0.319
LON-WEI-b8d98729-31
0.319
ERI-UCB-fbdd3ea1-3
0.319
LON-WEI-adc59df6-27
0.319
LON-WEI-adc59df6-84
0.319
WIL-UNI-354943b6-6
0.318
ALP-UNI-fe744232-2
0.318
LON-WEI-b8d98729-48
0.317
RAL-MED-9a5eb9cb-6
0.317
PET-UNK-7d68125a-4
0.317
LON-WEI-b8d98729-11
0.316
LON-WEI-d1c9908a-5
0.316
RAL-MED-9a5eb9cb-4
0.316
ALP-POS-88a7a97e-3
0.316
BRU-THA-92256091-44
0.316
LON-WEI-d1c9908a-7
0.316
ALP-POS-ced8ea4d-50
0.316
LON-WEI-b8d98729-24
0.316
JAN-GHE-d851b096-4
0.316
LON-WEI-adc59df6-64
0.316
ALP-UNI-fe744232-13
0.316
ALP-POS-305f6ec3-23
0.315