Molecular Properties | |
SMILES: | CCNC(=O)Nc1ccc(-c2ncc(C)c(NC(C)c3cccnc3)n2)cc1OC |
MW: | 406.21 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 101.06 |
cLogP: | 4.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-18
MAR-TRE-4f781e27-20
0.288
NIM-UNI-bb9030bf-4
0.284
LON-WEI-adc59df6-45
0.283
LON-WEI-b8d98729-8
0.283
LON-WEI-b8d98729-26
0.281
JAN-GHE-76def03c-1
0.278
WIL-UNI-de614146-3
0.277
BAR-COM-5694a99d-2
0.277
LON-WEI-b8d98729-40
0.276
RAL-MED-9a5eb9cb-7
0.275
LON-WEI-b8d98729-45
0.273
WIL-UNI-de614146-1
0.273
BRU-THA-92256091-19
0.273
MAR-TRE-3e4e6814-6
0.272
LON-WEI-b8d98729-43
0.271
BRU-THA-92256091-42
0.268
LON-WEI-d1c9908a-3
0.268
MAR-TRE-c8530538-65
0.267
BRU-THA-92256091-41
0.266
LON-WEI-adc59df6-18
0.266
MAR-TRE-9d18ae8c-57
0.266
MAR-TRE-9d18ae8c-37
0.266
BRU-THA-92256091-75
0.265
ALP-POS-ced8ea4d-46
0.264
LON-WEI-b8d98729-37
0.264
LON-WEI-b8d98729-28
0.264
ALP-UNI-fe744232-5
0.263
MAR-TRE-a9136c7b-13
0.263
BRU-THA-92256091-43
0.262
LON-WEI-adc59df6-84
0.262
LON-WEI-adc59df6-66
0.262
JAN-GHE-76def03c-3
0.262
LON-WEI-b8d98729-30
0.262
MAR-TRE-4f781e27-68
0.261
BRU-THA-92256091-28
0.261
ALP-POS-e980f4ea-46
0.261
ALP-POS-ced8ea4d-48
0.261
NIM-NMI-8bb27a2b-4
0.260
NIM-NMI-8bb27a2b-11
0.260
MAR-TRE-c8530538-18
0.260
LON-WEI-b8d98729-20
0.260
LON-WEI-d1c9908a-4
0.260
BRU-THA-92256091-24
0.260
DAR-DIA-2b784ede-42
0.259
BRU-THA-92256091-23
0.259
MAK-UNK-d1e89583-8
0.259
MAR-TRE-3e4e6814-50
0.259
ALP-POS-ced8ea4d-40
0.259
ALP-POS-b0bc6a46-18
0.259
ALP-POS-02c6a514-29
0.259
WIL-UNI-de614146-11
0.259
BRU-THA-92256091-44
0.259
LON-WEI-adc59df6-30
0.259
LON-WEI-adc59df6-81
0.259
ERI-UCB-fbdd3ea1-15
0.258
SAD-SAT-689b7d5a-7
0.258
NIM-NMI-8bb27a2b-2
0.258
LON-WEI-8f408cad-10
0.258
LON-WEI-b8d98729-18
0.258
DAR-DIA-2b784ede-50
0.258
ALP-POS-e980f4ea-19
0.258
WIL-UNI-de614146-8
0.258
ALP-POS-e980f4ea-63
0.257
WIL-UNI-354943b6-3
0.257
ALP-POS-e980f4ea-48
0.257
TRY-UNI-2eddb1ff-4
0.257
TRY-UNI-2eddb1ff-5
0.257
JAN-GHE-83b26c96-4
0.257
JAN-GHE-83b26c96-5
0.257
TRY-UNI-714a760b-18
0.257
RAL-MED-9a5eb9cb-6
0.257
LON-WEI-adc59df6-65
0.256
ADA-UCB-6c2cb422-9
0.256
WIL-UNI-de614146-5
0.256
MAT-POS-f2460aef-5
0.256
ALP-POS-02c6a514-25
0.256
WIL-UNI-de614146-14
0.256
LON-WEI-b8d98729-1
0.255
ALP-POS-e980f4ea-40
0.255
WIL-UNI-de614146-10
0.255
NIM-UNI-bb9030bf-6
0.255
MIC-UNK-2744a8e2-2
0.254
MAK-UNK-51bb34f9-3
0.254
RAL-MED-9a5eb9cb-8
0.254
LON-WEI-b8d98729-22
0.254
NIM-NMI-8bb27a2b-12
0.254
LON-WEI-b8d98729-46
0.254
ALP-POS-1245c3fa-2
0.254
WIL-UNI-de614146-4
0.254
WIL-UNI-de614146-12
0.254
ALP-POS-e980f4ea-44
0.254
ALP-POS-02c6a514-23
0.253
ALP-POS-b0bc6a46-14
0.253
MAK-UNK-2c1752f0-2
0.253
NIM-UNI-bb9030bf-5
0.252
JAN-GHE-d851b096-8
0.252
BRU-LEF-e1854a6f-1
0.252
ERI-UCB-fbdd3ea1-16
0.252
ALP-POS-b0bc6a46-22
0.252
ALP-POS-02c6a514-37
0.252