Molecular Properties | |
SMILES: | CNC(=O)c1cccc(CCNC(=O)NCc2ccc(-n3cccn3)cc2)c1 |
MW: | 377.19 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 88.05 |
cLogP: | 2.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-UNI-c25c2f1e-7
0.612
AAR-UNI-c25c2f1e-5
0.442
AAR-UNI-c25c2f1e-104
0.381
AAR-UNI-c25c2f1e-73
0.364
AAR-UNI-c25c2f1e-81
0.358
BRU-THA-92256091-85
0.356
AAR-UNI-c25c2f1e-28
0.340
AAR-UNI-c25c2f1e-59
0.320
AAR-UNI-c25c2f1e-27
0.315
AAR-UNI-c25c2f1e-25
0.304
AAR-UNI-c25c2f1e-49
0.304
AAR-UNI-c25c2f1e-56
0.303
CHA-MCP-85291e1d-7
0.296
MAR-TRE-66ac689e-45
0.280
AAR-UNI-c25c2f1e-72
0.279
IAN-BAS-9ef79f6c-1
0.279
WIL-UNI-354943b6-1
0.276
AAR-UNI-c25c2f1e-102
0.271
MAK-UNK-27459e11-15
0.270
AAR-UNI-c25c2f1e-80
0.267
AAR-UNI-c25c2f1e-51
0.266
ALP-UNI-fe744232-1
0.266
BRU-THA-92256091-87
0.265
BRU-THA-92256091-86
0.264
SAD-SAT-135344c3-10
0.262
GAB-REV-df64cf17-1
0.262
AAR-UNI-c25c2f1e-19
0.259
ALP-POS-e980f4ea-7
0.259
MAK-UNK-c44f4be0-4
0.259
ALP-POS-e980f4ea-16
0.258
MAR-TRE-3e4e6814-45
0.257
BRU-THA-92256091-11
0.256
ALP-POS-ced8ea4d-16
0.256
ALP-POS-95f71980-35
0.256
MAR-TRE-92684b97-66
0.255
AAR-UNI-c25c2f1e-2
0.255
WIL-UNI-354943b6-7
0.254
BRU-THA-92256091-72
0.254
BRU-THA-92256091-74
0.254
ALP-POS-ced8ea4d-7
0.252
WIL-UNI-354943b6-5
0.252
AAR-UNI-c25c2f1e-90
0.250
ALP-UNI-fe744232-12
0.250
ALP-POS-305f6ec3-56
0.250
BRU-THA-92256091-8
0.250
ALP-POS-95f71980-26
0.250
MIC-UNK-96659df2-8
0.248
ALP-POS-95f71980-10
0.248
WIL-UNI-354943b6-2
0.248
ALP-POS-ced8ea4d-28
0.248
WIL-LEE-23e8b574-3
0.247
JON-UNI-4b544d07-6
0.247
BRU-THA-92256091-73
0.246
ALP-UNI-fe744232-3
0.246
ALP-POS-b0bc6a46-25
0.246
ALP-POS-02c6a514-41
0.246
MAR-TRE-92684b97-82
0.245
CHA-MCP-85291e1d-1
0.245
BRU-THA-92256091-59
0.244
BRU-THA-92256091-61
0.244
WIL-UNI-354943b6-3
0.244
ALP-UNI-fe744232-14
0.244
ALP-POS-305f6ec3-46
0.244
PET-UNK-7d68125a-1
0.244
ALP-POS-e980f4ea-28
0.244
AAR-UNI-c25c2f1e-78
0.242
ALP-UNI-fe744232-9
0.242
BRU-THA-92256091-21
0.242
PET-UNK-48ab5cd7-1
0.242
ALP-POS-305f6ec3-14
0.242
ALP-POS-02c6a514-46
0.242
ALP-POS-95f71980-9
0.242
ALP-POS-e980f4ea-64
0.242
AAR-UNI-c25c2f1e-74
0.241
BRU-THA-92256091-88
0.241
ALP-POS-ced8ea4d-38
0.241
WIL-UNI-354943b6-12
0.240
WIL-UNI-354943b6-8
0.240
AAR-UNI-c25c2f1e-35
0.240
BRU-THA-92256091-19
0.240
BRU-THA-92256091-7
0.240
MAK-UNK-2c1752f0-1
0.240
AAR-UNI-c25c2f1e-37
0.239
WIL-UNI-354943b6-9
0.238
ALP-POS-e980f4ea-38
0.238
ALP-UNI-fe744232-15
0.238
ALP-UNI-fe744232-22
0.238
ALP-POS-ced8ea4d-19
0.238
AAR-UNI-c25c2f1e-96
0.238
MAR-TRE-66ac689e-33
0.238
ALP-POS-95f71980-17
0.238
ALP-POS-95f71980-27
0.237
KHR-WEI-75c61062-1
0.237
ALP-UNI-fe744232-17
0.237
BRU-THA-92256091-62
0.237
ALP-POS-e980f4ea-23
0.237
ALP-POS-95f71980-3
0.237
MAR-TRE-799db12b-18
0.236
ALP-POS-02c6a514-15
0.236
BRU-THA-92256091-30
0.236