Molecular Properties | |
SMILES: | O=C1C2C=CC=CC2[Se]N1c1cccc2ccccc12 |
MW: | 326.257 |
Fraction sp3: | 0.12 |
HBA: | 1 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 20.31 |
cLogP: | 3.3363 |
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-2ea5bed6-9
0.603
AMI-CSI-2ea5bed6-8
0.464
AMI-CSI-2339ae1c-1
0.448
AMI-CSI-2339ae1c-2
0.438
AMI-CSI-2339ae1c-4
0.426
AMI-CSI-2ea5bed6-2
0.415
AMI-CSI-2ea5bed6-1
0.415
AMI-CSI-2ea5bed6-3
0.403
AMI-CSI-2ea5bed6-12
0.397
AMI-CSI-2339ae1c-3
0.397
AMI-CSI-2ea5bed6-4
0.397
AMI-CSI-2ea5bed6-11
0.391
AMI-CSI-2ea5bed6-5
0.381
AMI-CSI-2ea5bed6-10
0.354
AMI-CSI-2ea5bed6-6
0.343
HAO-BIO-c9aafde3-2
0.325
DAR-DIA-0f7b7cd9-1
0.325
DAR-DIA-0f7b7cd9-2
0.313
VLA-UNK-c3e99b7a-4
0.269
MAT-POS-24589f88-14
0.261
BEN-DND-d1eb1f41-7
0.261
MIC-UNK-0a05c952-2
0.258
PET-UNK-7b413b46-2
0.256
VLA-UCB-1dbca3b4-6
0.256
PET-UNK-7b413b46-6
0.256
PET-UNK-3e354a91-1
0.253
PET-UNK-689df078-4
0.247
PET-UNK-194f9da3-1
0.245
VLA-UCB-1dbca3b4-18
0.245
PET-UNK-abc197b8-1
0.245
PET-UNK-689df078-2
0.242
VLA-UNK-db5e3064-1
0.242
VLA-UCB-1dbca3b4-17
0.242
PET-UNK-4dc48bbe-6
0.242
VLA-UNK-db5e3064-2
0.242
PET-UNK-7b413b46-8
0.240
DAR-DIA-53551c05-12
0.240
PET-UNK-7b413b46-4
0.240
GIA-UNK-80c9bc96-1
0.239
EDG-MED-5d232de5-8
0.239
PET-UNK-c9c1e0d8-4
0.239
EDG-MED-5d232de5-7
0.239
CLI-SEL-cf46d3af-1
0.239
PET-UNK-7b413b46-3
0.237
PET-UNK-7b413b46-7
0.237
PET-UNK-689df078-3
0.237
MED-COV-4280ac29-31
0.235
AAR-POS-d2a4d1df-40
0.235
PET-UNK-c9c1e0d8-3
0.234
JOO-IND-3132366c-1
0.234
PET-UNK-7a31b064-2
0.232
DRR-IMP-db50bf6e-4
0.232
VLA-UCB-1dbca3b4-10
0.232
PET-UNK-7b413b46-5
0.232
PET-UNK-7b413b46-1
0.232
PET-UNK-689df078-1
0.232
UNK-UNK-2ede4078-6
0.231
PET-UNK-194f9da3-2
0.230
PET-UNK-431b3bfb-1
0.229
ALP-UNI-58319883-2
0.229
DAR-DIA-53551c05-6
0.229
MIC-UNK-d854bf4c-1
0.229
MIC-UNK-d854bf4c-3
0.229
VLA-UCB-1dbca3b4-12
0.229
PET-UNK-7be94445-2
0.227
PET-UNK-5ddd54c7-2
0.227
PET-UNK-7a31b064-1
0.227
DAR-DIA-0f7b7cd9-4
0.226
MAK-UNK-6ca90168-1
0.225
DAR-DIA-53551c05-10
0.225
PET-UNK-4dc48bbe-8
0.225
DAR-DIA-b80f1cd7-2
0.224
BEN-DND-d1eb1f41-8
0.224
MIC-UNK-0a05c952-4
0.224
JOO-IND-6372a4f3-5
0.224
PET-UNK-7be94445-1
0.222
MIC-UNK-0a05c952-1
0.222
BEN-DND-d1eb1f41-9
0.222
JOO-IND-6372a4f3-4
0.220
DAR-DIA-0f7b7cd9-3
0.218
MAK-UNK-3f402c2b-14
0.218
PET-UNK-5ddd54c7-1
0.218
MIC-UNK-a28eba03-2
0.217
KRI-MAR-d2e3ef86-6
0.216
WAR-XCH-b6889685-28
0.216
DAR-DIA-5d6f1b43-1
0.215
ALP-POS-ce760d3f-8
0.215
JAR-IMP-ed466bb3-3
0.215
MIC-UNK-d854bf4c-5
0.215
MIC-UNK-d854bf4c-7
0.215
MAK-UNK-10799360-35
0.214
MIC-UNK-9582b2c5-1
0.213
DAR-DIA-0f7b7cd9-5
0.213
MED-COV-4280ac29-5
0.213
DAR-DIA-53551c05-11
0.212
JOO-IND-6372a4f3-6
0.212
UNK-UNK-2ede4078-59
0.211
UNK-UNK-2ede4078-101
0.211
MIH-UNI-e573136b-2
0.210
MAK-UNK-6ca90168-2
0.210