Molecular Properties | |
SMILES: | CCc1nc(C)c(CC(=O)NC(c2cccnc2)c2ccc(C)c(C)c2)c(=O)[nH]1 |
MW: | 390.21 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 87.74 |
cLogP: | 3.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2369560676 |
MolPort: | MolPort-044-706-666 |
MAR-TRE-c8530538-90
0.518
MAR-TRE-c8530538-63
0.410
MAR-TRE-c8530538-31
0.388
MAR-TRE-c8530538-66
0.385
MAR-TRE-c8530538-32
0.340
MAR-TRE-c8530538-89
0.336
MAR-TRE-4f781e27-20
0.333
MAR-TRE-4f781e27-68
0.330
MAR-TRE-9d18ae8c-37
0.323
MAR-TRE-c8530538-23
0.317
MAR-TRE-3e4e6814-8
0.316
MAR-TRE-a9136c7b-77
0.303
MAR-TRE-c8530538-11
0.296
MAR-TRE-c8530538-65
0.294
MAK-UNK-2c1752f0-2
0.287
MAR-TRE-c8530538-76
0.283
BRU-THA-92256091-22
0.281
MAR-TRE-c8530538-96
0.281
MAR-TRE-c8530538-2
0.278
ERI-UCB-fbdd3ea1-3
0.278
MAR-TRE-a9136c7b-93
0.277
MAR-TRE-c8530538-38
0.276
LON-WEI-adc59df6-73
0.275
NIM-UNI-bb9030bf-13
0.275
BRU-THA-92256091-27
0.274
MAR-TRE-c8530538-10
0.274
LON-WEI-b8d98729-2
0.274
LON-WEI-b8d98729-20
0.273
MAR-TRE-c8530538-71
0.272
NIM-UNI-bb9030bf-6
0.271
MAR-TRE-c8530538-8
0.269
NAM-UNK-f7c77a48-2
0.268
MAR-TRE-c8530538-80
0.268
MAR-TRE-c8530538-17
0.267
LON-WEI-b8d98729-45
0.267
LON-WEI-b8d98729-46
0.267
BRU-THA-92256091-19
0.266
BAR-COM-4e090d3a-3
0.264
MAR-TRE-2fd8122f-93
0.264
MAR-TRE-c8530538-1
0.263
NIM-UNI-bb9030bf-4
0.263
BRU-THA-92256091-11
0.263
BRU-THA-92256091-24
0.262
DAR-DIA-2b784ede-42
0.262
ALP-POS-ced8ea4d-41
0.262
ALP-POS-95f71980-27
0.261
RAL-MED-9a5eb9cb-1
0.261
NIM-NMI-8bb27a2b-2
0.261
ERI-UCB-fbdd3ea1-1
0.261
LON-WEI-b8d98729-29
0.261
LON-WEI-b8d98729-39
0.261
ERI-UCB-fbdd3ea1-2
0.261
WIL-UNI-de614146-8
0.260
DAR-DIA-2b784ede-50
0.260
MAR-TRE-3724962b-19
0.260
NIM-UNI-bb9030bf-7
0.259
LON-WEI-adc59df6-26
0.259
ERI-UCB-fbdd3ea1-6
0.259
NIM-UNI-bb9030bf-16
0.258
LON-WEI-babf2c61-9
0.258
BRU-THA-92256091-6
0.258
ALP-POS-e980f4ea-41
0.258
BRU-THA-92256091-21
0.258
MAR-TRE-f6f5f473-71
0.257
NIM-NMI-8bb27a2b-16
0.257
BRU-THA-92256091-8
0.256
LON-WEI-b8d98729-42
0.256
ALP-POS-95f71980-32
0.255
MAR-TRE-c8530538-54
0.255
MAR-TRE-2fd8122f-80
0.255
MAR-TRE-fd17a9b8-80
0.254
LON-WEI-d1c9908a-10
0.254
NIM-NMI-8bb27a2b-1
0.254
ERI-UCB-fbdd3ea1-5
0.254
DAR-DIA-2b784ede-52
0.254
LON-WEI-babf2c61-10
0.254
ALP-POS-ced8ea4d-19
0.254
WIL-UNI-354943b6-10
0.254
BRU-THA-92256091-2
0.254
BRU-THA-92256091-13
0.254
BRU-THA-92256091-18
0.254
ALP-POS-305f6ec3-52
0.254
BRU-THA-92256091-67
0.254
BAR-COM-655b106d-2
0.252
MAR-TRE-c8530538-44
0.252
MAR-TRE-c8530538-92
0.252
NIM-NMI-8bb27a2b-4
0.252
ERI-UCB-fbdd3ea1-7
0.252
ERI-UCB-fbdd3ea1-9
0.252
ALP-POS-1245c3fa-1
0.252
WIL-UNI-de614146-7
0.252
ALP-POS-305f6ec3-59
0.252
BRU-THA-92256091-42
0.252
BRU-THA-92256091-12
0.252
ALP-POS-305f6ec3-16
0.250
ALP-POS-305f6ec3-20
0.250
BRU-THA-92256091-41
0.250
DAR-DIA-2b784ede-48
0.250
DAR-DIA-2b784ede-51
0.250
ALP-POS-e980f4ea-19
0.250