Molecular Properties | |
SMILES: | COc1cccc(N(C(=O)CCl)C(C(=O)NC2CCCCC2)c2cccnc2)c1 |
MW: | 415.921 |
Fraction sp3: | 0.41 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 71.53 |
cLogP: | 3.8522 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8871069246 |
MolPort: | MolPort-030-082-621 |
Long aliphatic chain
AAR-POS-d2a4d1df-1
JAN-GHE-76def03c-1
0.711
LON-WEI-adc59df6-8
0.500
NIM-NMI-8bb27a2b-15
0.480
NIM-NMI-8bb27a2b-1
0.476
ERI-UCB-fbdd3ea1-5
0.476
LON-WEI-adc59df6-35
0.465
MAR-LAB-efb042c5-2
0.458
JAN-GHE-d851b096-7
0.457
BRU-THA-40a53a3c-1
0.453
RAL-MED-9a5eb9cb-15
0.446
LON-WEI-adc59df6-14
0.444
ERI-UCB-fbdd3ea1-6
0.442
ERI-UCB-fbdd3ea1-7
0.423
ALP-POS-88a7a97e-28
0.421
LON-WEI-adc59df6-44
0.410
ALP-POS-88a7a97e-45
0.402
LON-WEI-adc59df6-12
0.394
NIM-NMI-8bb27a2b-3
0.394
NIM-NMI-8bb27a2b-17
0.392
RAL-MED-9a5eb9cb-8
0.390
LON-WEI-b8d98729-26
0.389
LON-WEI-b8d98729-28
0.381
ALP-POS-88a7a97e-12
0.380
LON-WEI-adc59df6-39
0.380
LON-WEI-b8d98729-1
0.375
LON-WEI-b8d98729-25
0.368
RAL-MED-9a5eb9cb-1
0.367
JAN-GHE-d851b096-8
0.365
LON-WEI-b8d98729-30
0.365
NAM-UNK-f7c77a48-2
0.364
LON-WEI-adc59df6-1
0.364
RAL-MED-9a5eb9cb-6
0.364
LON-WEI-b8d98729-12
0.364
LON-WEI-d1c9908a-3
0.363
LON-WEI-d1c9908a-4
0.362
LON-WEI-b8d98729-40
0.360
LON-WEI-adc59df6-6
0.360
ERI-UCB-fbdd3ea1-8
0.360
LON-WEI-b8d98729-37
0.357
LON-WEI-b8d98729-8
0.357
ALP-POS-88a7a97e-9
0.357
LON-WEI-adc59df6-45
0.357
ALP-POS-02c6a514-25
0.356
JAN-GHE-d851b096-9
0.355
MAR-LAB-ff9967db-38
0.355
BRU-LEF-973da26b-1
0.352
JAN-GHE-76def03c-2
0.352
LON-WEI-8f408cad-10
0.351
RAL-MED-9a5eb9cb-14
0.350
BRU-LEF-e1854a6f-1
0.349
LON-WEI-adc59df6-84
0.349
LON-WEI-d1c9908a-7
0.345
LON-WEI-d1c9908a-5
0.345
ALP-POS-02c6a514-5
0.344
ALP-POS-b0bc6a46-5
0.344
LON-WEI-adc59df6-26
0.343
LON-WEI-b8d98729-47
0.342
ALP-POS-02c6a514-37
0.342
ALP-POS-b0bc6a46-22
0.342
LON-WEI-b8d98729-43
0.342
BRU-THA-92256091-19
0.342
ALP-POS-b0bc6a46-14
0.341
ALP-POS-02c6a514-23
0.341
LON-WEI-adc59df6-103
0.339
RIT-AID-af4ac3d4-1
0.339
LON-WEI-b8d98729-27
0.339
LON-WEI-adc59df6-65
0.339
ALP-POS-88a7a97e-15
0.339
ALP-POS-ced8ea4d-19
0.339
LON-WEI-adc59df6-73
0.336
ALP-POS-88a7a97e-34
0.336
LON-WEI-adc59df6-24
0.336
ALP-POS-e980f4ea-19
0.336
ALP-POS-88a7a97e-6
0.336
LON-WEI-b8d98729-48
0.333
RAL-MED-9a5eb9cb-4
0.333
LON-WEI-adc59df6-37
0.333
LON-WEI-adc59df6-70
0.333
LON-WEI-adc59df6-102
0.333
BRU-THA-92256091-92
0.331
BRU-THA-92256091-79
0.331
ALP-POS-ced8ea4d-59
0.331
ALP-POS-1245c3fa-2
0.331
RAL-MED-9a5eb9cb-5
0.331
ALP-POS-88a7a97e-30
0.331
DAR-DIA-2b784ede-53
0.330
ALP-POS-ced8ea4d-15
0.328
ALP-POS-305f6ec3-3
0.328
LON-WEI-b8d98729-29
0.328
LON-WEI-b8d98729-18
0.328
RYA-UNI-f4a878f6-1
0.327
LON-WEI-adc59df6-100
0.327
ERI-UCB-fbdd3ea1-31
0.327
LON-WEI-b8d98729-32
0.327
KEI-TRE-d5e2018a-34
0.327
ALP-POS-e980f4ea-15
0.326
ALP-POS-e980f4ea-59
0.325
ALP-POS-780445ae-10
0.325
ALP-POS-88a7a97e-39
0.325
LON-WEI-b8d98729-31
0.325