Molecular Properties | |
SMILES: | NC(N)c1ccc(C(=O)NCc2ccc(C(=O)O)cc2)c(O)c1 |
MW: | 315.329 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 5 |
Rotatable Bonds: | 5 |
TPSA: | 138.67 |
cLogP: | 0.9364 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
non_ring_acetal
het-C-het not in ring
acyclic N-C-N
MAR-TRE-fd17a9b8-91
0.316
MAR-TRE-8190bb11-85
0.276
MAR-TRE-e86a56b5-88
0.275
AAR-UNI-c25c2f1e-27
0.273
MAR-TRE-9d18ae8c-6
0.271
MAR-TRE-04c86cea-90
0.270
AAR-POS-0daf6b7e-45
0.269
MAR-TRE-e86a56b5-40
0.268
MAR-TRE-92684b97-78
0.267
MAR-TRE-9d18ae8c-83
0.264
JUA-UNI-bc099708-4
0.264
MAR-TRE-9d18ae8c-89
0.263
MAR-TRE-799db12b-35
0.263
AAR-UNI-c25c2f1e-73
0.261
DAV-IMP-59dd6621-27
0.261
BAR-COM-0f94fc3d-6
0.260
DAV-IMP-59dd6621-24
0.260
MAR-TRE-e86a56b5-52
0.260
MAR-TRE-8190bb11-24
0.260
VIJ-CYC-1a381570-10
0.256
RED-RED-10c9212c-12
0.256
MAR-TRE-8190bb11-13
0.253
MAR-TRE-4b834d9a-57
0.253
WIL-UNI-1faa9b10-33
0.247
MAR-TRE-4f781e27-99
0.247
GIA-UNK-a33ae3bd-1
0.246
SAD-SAT-29425be4-29
0.245
MAR-TRE-66ac689e-20
0.244
JON-UNI-4b544d07-6
0.244
MAR-TRE-e86a56b5-71
0.243
MAR-TRE-d3c2bf0e-59
0.243
JUA-UNI-bc099708-2
0.242
MAR-TRE-66ac689e-21
0.241
BAR-COM-0f94fc3d-21
0.240
MAR-TRE-e86a56b5-32
0.240
BAR-COM-0f94fc3d-30
0.240
MAR-TRE-4b834d9a-92
0.240
MAR-TRE-6a44bbf2-73
0.239
SAD-SAT-65574d3f-2
0.239
MAR-TRE-4f39ef4a-30
0.238
MAR-TRE-4f39ef4a-63
0.238
LAU-OPA-3eee07c1-2
0.237
MAR-TRE-92684b97-64
0.236
MAR-TRE-e86a56b5-86
0.235
MAR-TRE-66ac689e-26
0.235
MAR-TRE-fd17a9b8-33
0.233
MAR-TRE-e86a56b5-62
0.233
MAR-TRE-e86a56b5-41
0.233
MAR-TRE-e86a56b5-20
0.232
MAR-TRE-fffca54f-61
0.232
MAR-TRE-14ce9fd6-50
0.232
KEI-TRE-fa9ada3e-16
0.230
UNK-UNK-2ede4078-88
0.229
MAR-TRE-8190bb11-50
0.229
NIC-BIO-a68395b7-3
0.229
NIC-BIO-a68395b7-5
0.229
MAR-TRE-14ce9fd6-65
0.228
NIC-BIO-7d400292-2
0.227
SAD-SAT-f0a2747f-1
0.227
MAR-TRE-e86a56b5-47
0.227
PAT-GYR-de8eec61-5
0.226
MAR-TRE-fd17a9b8-37
0.225
PAT-GYR-359dbb24-1
0.225
SAD-SAT-29425be4-15
0.225
MAR-TRE-799db12b-52
0.225
JUA-UNI-b93289a4-7
0.224
MAR-TRE-e86a56b5-98
0.224
WIL-UNI-1faa9b10-51
0.224
MAK-UNK-f983951f-26
0.222
VIJ-CYC-1a381570-1
0.222
AAR-UNI-c25c2f1e-70
0.222
MAR-TRE-66ac689e-87
0.222
MAR-TRE-9d18ae8c-74
0.221
MAR-TRE-799db12b-32
0.221
NIC-BIO-a68395b7-2
0.221
SAD-SAT-2ceae68f-3
0.220
NAU-LAT-ec9c7557-6
0.220
MAR-TRE-799db12b-72
0.220
MAR-TRE-e86a56b5-46
0.220
SWA-SYN-d2e6fa14-7
0.220
SWA-SYN-6423ea73-7
0.220
MAR-TRE-8190bb11-42
0.220
BEN-BAS-43e7cce2-1
0.219
WIL-UNI-1faa9b10-42
0.218
MAR-TRE-e86a56b5-31
0.218
MAR-TRE-4b834d9a-71
0.218
MAR-TRE-f6f5f473-77
0.217
MAR-TRE-8190bb11-76
0.217
MAR-TRE-e86a56b5-73
0.217
MAR-TRE-e86a56b5-56
0.216
MAR-TRE-e86a56b5-99
0.216
SAD-SAT-f0a2747f-8
0.216
MAR-TRE-e86a56b5-69
0.215
MAR-TRE-4b834d9a-67
0.214
PAT-GYR-359dbb24-4
0.214
MAR-TRE-8190bb11-97
0.214
MAR-TRE-14ce9fd6-48
0.213
ALP-POS-76eab5ce-2
0.213
MAR-TRE-e86a56b5-67
0.212
CHA-KIN-bfe9b535-9
0.212