Molecular Properties | |
SMILES: | NC(=O)c1cccc(CNC(=O)NCCc2ccc(-n3cccn3)cc2)c1 |
MW: | 363.17 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 102.04 |
cLogP: | 2.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-UNI-c25c2f1e-12
0.612
AAR-UNI-c25c2f1e-25
0.477
AAR-UNI-c25c2f1e-81
0.422
AAR-UNI-c25c2f1e-5
0.396
AAR-UNI-c25c2f1e-56
0.385
AAR-UNI-c25c2f1e-104
0.351
AAR-UNI-c25c2f1e-49
0.313
AAR-UNI-c25c2f1e-72
0.311
BRU-THA-92256091-85
0.308
IAN-BAS-9ef79f6c-1
0.308
AAR-UNI-c25c2f1e-59
0.304
AAR-UNI-c25c2f1e-28
0.297
AAR-UNI-c25c2f1e-78
0.290
AAR-UNI-c25c2f1e-19
0.290
AAR-UNI-c25c2f1e-90
0.284
ANN-UNI-98d2bf15-2
0.284
GAB-REV-df64cf17-1
0.283
AAR-UNI-c25c2f1e-2
0.277
AAR-UNI-c25c2f1e-80
0.275
WIL-UNI-5578df48-14
0.274
SAD-SAT-135344c3-10
0.270
MAK-UNK-27459e11-15
0.264
AAR-UNI-c25c2f1e-35
0.260
AAR-UNI-c25c2f1e-36
0.257
AAR-UNI-c25c2f1e-73
0.257
MAR-TRE-799db12b-76
0.257
SAD-SAT-135344c3-9
0.255
CHA-MCP-85291e1d-7
0.253
MAR-TRE-04c86cea-34
0.252
LON-WEI-4d77710c-17
0.250
AAR-UNI-c25c2f1e-82
0.250
MAK-UNK-009ebe36-7
0.250
MAR-TRE-3e4e6814-16
0.250
MAT-POS-2492181e-4
0.250
LON-WEI-5e7d1b3e-17
0.250
MAR-TRE-3e4e6814-22
0.248
AAR-UNI-c25c2f1e-43
0.248
AAR-UNI-c25c2f1e-18
0.248
MAR-TRE-8190bb11-34
0.248
JOO-IND-9269dfbd-1
0.246
MAR-TRE-4f781e27-2
0.245
MAR-TRE-66ac689e-33
0.245
AAR-UNI-c25c2f1e-102
0.243
MAR-TRE-799db12b-18
0.243
MAT-POS-2492181e-1
0.240
LON-WEI-5e7d1b3e-52
0.240
LON-WEI-4d77710c-52
0.240
MAR-TRE-799db12b-51
0.240
MAR-TRE-92684b97-82
0.240
CHA-MCP-85291e1d-1
0.240
JOO-IND-9269dfbd-2
0.239
AAR-POS-d2a4d1df-12
0.239
MAR-TRE-4b834d9a-69
0.239
MAR-TRE-799db12b-97
0.238
AAR-UNI-c25c2f1e-52
0.238
MAR-TRE-66ac689e-45
0.238
RAL-MED-2de63afb-12
0.237
AAR-UNI-c25c2f1e-65
0.237
AAR-UNI-c25c2f1e-24
0.236
TRY-UNI-1fd04853-5
0.235
AAR-UNI-c25c2f1e-3
0.235
MAR-TRE-9d18ae8c-46
0.235
ALP-POS-e980f4ea-16
0.234
AAR-UNI-c25c2f1e-51
0.234
MAK-UNK-2c1752f0-1
0.234
WIL-UNI-1faa9b10-47
0.234
BRU-THA-92256091-87
0.233
MAT-POS-3b92565d-13
0.233
AAR-UNI-c25c2f1e-96
0.233
MAR-TRE-74c6519b-70
0.233
MAR-TRE-b77b7921-25
0.233
WIL-UNI-354943b6-1
0.233
AAR-UNI-c25c2f1e-84
0.231
BAR-COM-0f94fc3d-33
0.231
AAR-UNI-c25c2f1e-10
0.231
MAR-TRE-92684b97-81
0.230
MAR-TRE-9d18ae8c-53
0.230
BAR-COM-0f94fc3d-42
0.229
MAR-TRE-0fda4e82-10
0.229
MAR-TRE-0fda4e82-24
0.229
MAR-TRE-d0525fbf-6
0.229
MAR-TRE-3e4e6814-2
0.229
AAR-UNI-c25c2f1e-64
0.229
MAR-TRE-9d18ae8c-43
0.229
MAR-TRE-8190bb11-8
0.229
MAR-TRE-3e4e6814-45
0.229
ALP-POS-76eab5ce-2
0.228
MAR-TRE-799db12b-27
0.228
AAR-UNI-c25c2f1e-62
0.227
MAR-TRE-d0525fbf-8
0.227
HAO-BIO-c9aafde3-3
0.227
MAR-TRE-9d18ae8c-34
0.226
AAR-UNI-c25c2f1e-101
0.226
MAR-TRE-a9136c7b-11
0.225
MAR-TRE-f6f5f473-7
0.225
ANT-DIA-b7f58f21-4
0.225
MAR-TRE-8190bb11-69
0.224
WIL-UNI-1faa9b10-46
0.224
WIL-UNI-1faa9b10-51
0.224
MAR-TRE-9d18ae8c-10
0.224