Molecular Properties | |
SMILES: | NC(=O)c1cccc(N2[Se]C3C=CC=CC3C2=O)c1 |
MW: | 319.222 |
Fraction sp3: | 0.14 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 63.4 |
cLogP: | 1.282 |
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-1
0.639
AMI-CSI-2ea5bed6-4
0.633
AMI-CSI-2339ae1c-4
0.613
AMI-CSI-2ea5bed6-12
0.591
AMI-CSI-2339ae1c-3
0.556
AMI-CSI-2ea5bed6-8
0.529
AMI-CSI-2ea5bed6-1
0.508
AMI-CSI-2339ae1c-2
0.508
AMI-CSI-2ea5bed6-2
0.484
AMI-CSI-2ea5bed6-11
0.478
AMI-CSI-2ea5bed6-10
0.467
AMI-CSI-2ea5bed6-7
0.403
AMI-CSI-2ea5bed6-9
0.383
AMI-CSI-2ea5bed6-6
0.348
AMI-CSI-2ea5bed6-5
0.343
AAR-UNI-c25c2f1e-25
0.223
OLE-CAR-5b17bec5-6
0.217
LON-WEI-b2874fec-9
0.216
MAK-UNK-c8c8f7e2-42
0.207
KEN-ILL-f8fa3277-1
0.206
DAV-IMP-59dd6621-30
0.205
MEL-NAT-8c3652c8-5
0.202
WIL-UNI-1faa9b10-44
0.198
MAK-UNK-c8c8f7e2-15
0.198
MAK-UNK-7a704a63-8
0.198
WIL-UNI-1faa9b10-36
0.196
UNK-CYC-68f84b31-39
0.194
UNK-CYC-68f84b31-58
0.194
EMI-TUK-a58865cc-1
0.194
WIL-UNI-1faa9b10-46
0.193
MAK-UNK-c8c8f7e2-44
0.193
GAB-REV-df64cf17-1
0.191
MAK-UNK-c8c8f7e2-16
0.190
AAR-UNI-c25c2f1e-7
0.190
UNK-CYC-68f84b31-12
0.190
ANN-UNI-98d2bf15-2
0.189
UNK-CYC-68f84b31-48
0.189
UNK-CYC-68f84b31-61
0.188
UNK-CYC-68f84b31-11
0.188
BEN-BAS-c3742787-1
0.187
MAR-TRE-3e4e6814-22
0.186
JAN-GHE-83b26c96-18
0.186
UNK-CYC-68f84b31-4
0.186
DOU-UNK-b5326f8f-11
0.185
JAG-UCB-ef2c0e8e-8
0.184
UNK-CYC-68f84b31-15
0.184
MAK-UNK-c8c8f7e2-30
0.183
MAK-UNK-7a704a63-12
0.183
SAN-PRS-c955de36-1
0.182
WIL-UNI-1faa9b10-47
0.182
LON-WEI-b2874fec-14
0.182
JON-UNI-bb9dc649-14
0.182
JON-UNI-bb9dc649-15
0.182
UNK-CYC-68f84b31-41
0.181
MAK-UNK-c8c8f7e2-2
0.181
MAK-UNK-c8c8f7e2-43
0.181
MAK-UNK-7a704a63-11
0.181
SAD-SAT-24589cd1-2
0.180
WIL-UNI-1faa9b10-51
0.180
MAK-UNK-c8c8f7e2-21
0.179
MAR-TRE-04c86cea-34
0.178
KEI-TRE-d5e2018a-94
0.178
UNK-CYC-68f84b31-31
0.178
FAR-UNI-736b943a-2
0.178
PET-UNK-4dc48bbe-7
0.178
BEN-VAN-5787f7d3-5
0.178
UNK-CYC-68f84b31-71
0.178
MAR-TRE-3e4e6814-16
0.176
UNK-CYC-68f84b31-53
0.176
MAK-UNK-9e4a73aa-4
0.176
IAN-BAS-df1706d7-1
0.176
MAR-TRE-3e4e6814-45
0.175
CHR-SOS-7098f804-9
0.174
MAK-UNK-1e8f9e3c-5
0.173
UNK-UNK-2ede4078-42
0.173
MAK-UNK-9159f8ed-2
0.173
KEN-ILL-f8fa3277-3
0.173
MAK-UNK-6ca90168-15
0.173
MAK-UNK-27459e11-15
0.173
SAN-PRS-3c4a6997-11
0.173
UNK-CYC-68f84b31-90
0.173
MAK-UNK-c8c8f7e2-6
0.172
PAT-UNK-b2d83456-3
0.172
MAK-UNK-c8c8f7e2-29
0.172
UNK-CYC-68f84b31-28
0.172
PET-UNK-4dc48bbe-1
0.172
DAR-DIA-43a5904b-7
0.172
BER-UNK-c44c38d5-3
0.172
DAR-DIA-43a5904b-11
0.172
UNK-CYC-68f84b31-83
0.171
JAS-UND-c13ee042-2
0.171
MAK-UNK-7a704a63-1
0.171
MAK-UNK-6435e6c2-4
0.171
MAK-UNK-c8c8f7e2-8
0.170
MAK-UNK-c8c8f7e2-17
0.170
MAK-UNK-c8c8f7e2-5
0.170
MAK-UNK-7a704a63-15
0.170
NIM-UNI-0ea3b7bf-5
0.170
UNK-UNK-2ede4078-14
0.170
UNK-CYC-68f84b31-54
0.170