Molecular Properties | |
SMILES: | O=C1C2C=CC=CC2[Se]N1c1ccc(O)c(O)c1 |
MW: | 308.195 |
Fraction sp3: | 0.15 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 1 |
TPSA: | 60.77 |
cLogP: | 1.5943 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
contains_metal
catechol
heavy metal
Any atoms except organogens, halogens, P, S, K, Na, Mg, Ca
Filter9_metal
Si,B,Se atoms
unacceptable atoms
catechol_A(92)
Undesirable_Elements_Salts
AAR-POS-d2a4d1df-30
AMI-CSI-2339ae1c-2
0.648
AMI-CSI-2339ae1c-1
0.621
AMI-CSI-2ea5bed6-1
0.589
AMI-CSI-2339ae1c-4
0.567
AMI-CSI-2ea5bed6-2
0.561
AMI-CSI-2ea5bed6-4
0.559
AMI-CSI-2ea5bed6-8
0.556
AMI-CSI-2ea5bed6-3
0.556
AMI-CSI-2ea5bed6-11
0.550
AMI-CSI-2ea5bed6-12
0.547
AMI-CSI-2ea5bed6-10
0.529
AMI-CSI-2ea5bed6-7
0.397
AMI-CSI-2ea5bed6-6
0.381
AMI-CSI-2ea5bed6-5
0.377
AMI-CSI-2ea5bed6-9
0.377
TIM-UNK-489d6f60-1
0.231
MAR-TRE-fffca54f-79
0.210
MAR-TRE-fffca54f-4
0.198
MAR-TRE-fffca54f-71
0.197
MAR-TRE-1c920f6f-29
0.188
MAR-TRE-a3327163-1
0.180
KEI-TRE-bda2794f-1
0.177
MAR-TRE-e86a56b5-20
0.176
MAR-TRE-fffca54f-61
0.176
MAR-TRE-d3c2bf0e-3
0.176
MAR-TRE-8a25d817-98
0.173
MAR-TRE-e86a56b5-71
0.171
MAR-TRE-fffca54f-5
0.171
IAN-BAS-8ad3d156-1
0.170
MAR-TRE-4f39ef4a-21
0.169
NEH-REV-107bcf72-4
0.163
MAR-TRE-f5c2d31c-65
0.163
MAR-TRE-4f39ef4a-23
0.163
LOR-NEU-c8f11034-9
0.163
MAR-TRE-e86a56b5-51
0.162
MAR-TRE-85681e92-34
0.160
MAR-TRE-fffca54f-55
0.160
TIM-UNK-d2baf6b8-1
0.160
TIM-UNK-e07ecbff-1
0.160
ZER-UNK-d4c6e3e9-2
0.160
CLI-UNI-032f7715-3
0.160
MAR-TRE-4f39ef4a-18
0.159
BRU-UNI-418e22dc-11
0.159
MAR-TRE-ebcc4ad6-2
0.159
MAK-UNK-acefcb18-25
0.159
KTA-UNK-96ef4e68-1
0.159
MAR-TRE-85681e92-46
0.159
AAR-POS-fca48359-15
0.159
MAR-TRE-fffca54f-6
0.159
FAB-ASS-ec2fd593-1
0.157
JAN-GHE-83b26c96-18
0.157
MAR-UNI-c84db004-6
0.156
LON-WEI-b2874fec-14
0.156
NAU-LAT-ec9c7557-5
0.156
MAR-TRE-d3c2bf0e-7
0.156
MAR-TRE-ebcc4ad6-9
0.156
MAR-TRE-fffca54f-31
0.156
MAR-TRE-8190bb11-97
0.155
DAR-DIA-53551c05-18
0.154
MAR-TRE-d3c2bf0e-6
0.154
MAK-UNK-b1d4dcd7-8
0.153
MAR-TRE-f5c2d31c-100
0.153
MAR-TRE-e86a56b5-70
0.153
MAR-TRE-e86a56b5-88
0.153
MAT-POS-2db6411e-2
0.152
SAD-SAT-581007d4-7
0.152
FAB-ASS-ec2fd593-2
0.152
MAR-UCB-195bc32d-34
0.152
MAR-TRE-e86a56b5-65
0.152
MAR-TRE-4f39ef4a-63
0.151
MAR-TRE-85681e92-56
0.151
MAR-TRE-e86a56b5-24
0.151
DAV-UNK-07f953a2-7
0.150
MAR-TRE-e86a56b5-15
0.150
MAR-TRE-e86a56b5-21
0.150
NEH-REV-107bcf72-5
0.150
MAR-TRE-fffca54f-35
0.149
JAG-UCB-ef2c0e8e-6
0.149
PET-UNK-4dc48bbe-7
0.149
VIC-UNK-b812fd5a-4
0.149
MAR-UCB-195bc32d-37
0.149
MAR-TRE-e86a56b5-40
0.149
MAK-UNK-c8c8f7e2-42
0.148
MAK-UNK-c8c8f7e2-44
0.148
MAK-UNK-9e4a73aa-4
0.148
MAR-TRE-e86a56b5-35
0.148
MAR-TRE-4f39ef4a-22
0.148
DAR-DIA-53551c05-19
0.147
LOR-NOR-30067bb9-1
0.147
MAR-UNI-c84db004-17
0.146
MAK-UNK-2084232d-1
0.146
JAN-GHE-fd8d85a5-8
0.146
DAR-DIA-9e4459de-6
0.146
KIM-UNI-2ee5d8f9-1
0.145
MAR-TRE-e86a56b5-52
0.145
CLI-TLC-a809b4cd-1
0.145
MAR-TRE-4f39ef4a-14
0.145
PET-UNK-4dc48bbe-1
0.144
MIH-UNI-3396182e-7
0.143
DAV-CRI-3edb475e-3
0.143