Molecular Properties | |
SMILES: | O=C1C2C=CC=CC2[Se]N1c1cccc(O)c1 |
MW: | 292.196 |
Fraction sp3: | 0.15 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 40.54 |
cLogP: | 1.8887 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
contains_metal
heavy metal
Any atoms except organogens, halogens, P, S, K, Na, Mg, Ca
Filter9_metal
Si,B,Se atoms
unacceptable atoms
Undesirable_Elements_Salts
AAR-POS-d2a4d1df-30
AMI-CSI-2339ae1c-4
0.655
AMI-CSI-2ea5bed6-3
0.639
AMI-CSI-2ea5bed6-1
0.625
AMI-CSI-2339ae1c-3
0.621
AMI-CSI-2ea5bed6-12
0.603
AMI-CSI-2339ae1c-2
0.596
AMI-CSI-2ea5bed6-8
0.538
AMI-CSI-2ea5bed6-2
0.517
AMI-CSI-2ea5bed6-4
0.516
AMI-CSI-2ea5bed6-11
0.484
AMI-CSI-2ea5bed6-10
0.472
AMI-CSI-2ea5bed6-7
0.448
AMI-CSI-2ea5bed6-9
0.403
AMI-CSI-2ea5bed6-5
0.365
AMI-CSI-2ea5bed6-6
0.348
UNK-UNK-2ede4078-99
0.225
TIM-UNK-489d6f60-1
0.210
MAR-TRE-85681e92-80
0.209
MAK-UNK-9e4a73aa-4
0.198
JAN-GHE-83b26c96-18
0.195
MAR-TRE-4f39ef4a-10
0.190
LON-WEI-b2874fec-14
0.189
MAK-UNK-c8c8f7e2-42
0.188
PET-UNK-4dc48bbe-7
0.186
HUN-WAB-7263dfed-1
0.186
HUN-WAB-5047113b-1
0.184
HUN-WAB-3eeb4ea3-1
0.184
UNK-UNK-2ede4078-68
0.184
DAV-CRI-f4772df7-7
0.183
MIH-UNI-e573136b-10
0.182
EDJ-MED-dd2a8363-4
0.181
MAK-UNK-9e4a73aa-2
0.181
PET-UNK-4dc48bbe-1
0.180
MAR-TRE-d3c2bf0e-10
0.179
MAR-TRE-fd17a9b8-12
0.179
MAK-UNK-c8c8f7e2-8
0.179
NIM-UNI-0ea3b7bf-5
0.179
ANT-DIA-b7f58f21-2
0.178
PAF-PIO-d312ccf6-3
0.177
VIR-GIT-7b3d3065-1
0.177
MAR-TRE-e86a56b5-5
0.176
MAK-UNK-c8c8f7e2-2
0.175
MAK-UNK-7a704a63-11
0.175
LOR-NEU-c8f11034-9
0.173
MAK-UNK-c8c8f7e2-44
0.173
GIA-UNK-3883fa4f-1
0.173
DRV-DNY-ae159ed1-12
0.170
PET-UNK-7a31b064-6
0.170
NEH-REV-107bcf72-2
0.170
MIC-UNK-df342a3f-1
0.170
VIT-UNK-6e6e7b8a-3
0.170
VLA-UNK-c3e99b7a-4
0.170
KEI-TRE-d5e2018a-3
0.169
HOL-KAN-545e4d08-1
0.169
MAK-UNK-9e4a73aa-6
0.169
MAR-TRE-92684b97-47
0.169
JAN-LUN-8953ce76-3
0.168
JAN-LUN-3e0f9c09-6
0.168
UNK-UNK-2ede4078-42
0.168
MIC-UNK-8758c41d-2
0.168
PET-UNK-4dc48bbe-9
0.167
MAR-TRE-aca67d11-76
0.167
PAT-UNK-b2d83456-3
0.167
MAK-UNK-c8c8f7e2-6
0.167
PET-UNK-4dc48bbe-6
0.167
SAD-SAT-7d5528d9-31
0.167
MIC-UNK-df342a3f-2
0.167
IAN-BAS-8ad3d156-1
0.167
MAR-TRE-aca67d11-84
0.167
VLA-UCB-1dbca3b4-17
0.167
MAK-UNK-c8c8f7e2-5
0.165
MAR-TRE-4f39ef4a-58
0.165
MAR-TRE-fffca54f-4
0.165
DUA-UNK-53ce8530-1
0.165
MAK-UNK-7a704a63-1
0.165
KTA-UNK-ec872bc6-3
0.165
MAR-UCB-d1255a91-1
0.164
JUL-TUD-06b2044f-46
0.163
LON-WEI-b2874fec-9
0.163
MAR-TRE-799db12b-48
0.163
RAL-MED-2de63afb-3
0.163
MAK-UNK-c8c8f7e2-7
0.163
MAR-TRE-aca67d11-12
0.163
MAK-UNK-7a704a63-12
0.163
EDJ-MED-2791eece-2
0.162
EDJ-MED-b774e9fe-1
0.162
PET-UNK-689df078-4
0.162
MAT-POS-24589f88-14
0.162
BEN-DND-d1eb1f41-7
0.162
PET-UNK-7a31b064-5
0.161
SAD-SAT-24589cd1-2
0.161
DAR-DIA-9e4459de-6
0.161
MAK-UNK-c8c8f7e2-3
0.160
MAK-UNK-c8c8f7e2-4
0.160
MAR-TRE-74c6519b-18
0.160
MAR-TRE-e86a56b5-15
0.160
MAR-TRE-e86a56b5-21
0.160
MAK-UNK-c8c8f7e2-43
0.160
MAT-POS-b5746674-81
0.160
VLA-UCB-1dbca3b4-18
0.160