Molecular Properties | |
SMILES: | NC(=O)c1ccc(N2[Se]C3C=CC=CC3C2=O)cc1 |
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-2
0.679
AMI-CSI-2ea5bed6-2
0.648
AMI-CSI-2ea5bed6-3
0.633
AMI-CSI-2ea5bed6-11
0.632
AMI-CSI-2339ae1c-3
0.559
AMI-CSI-2ea5bed6-1
0.534
AMI-CSI-2339ae1c-1
0.516
AMI-CSI-2339ae1c-4
0.492
AMI-CSI-2ea5bed6-8
0.485
AMI-CSI-2ea5bed6-12
0.478
AMI-CSI-2ea5bed6-10
0.465
AMI-CSI-2ea5bed6-7
0.397
AMI-CSI-2ea5bed6-6
0.381
AMI-CSI-2ea5bed6-5
0.377
AMI-CSI-2ea5bed6-9
0.359
KEN-ILL-f8fa3277-1
0.250
SAN-PRS-c955de36-1
0.241
KEN-ILL-f8fa3277-3
0.219
AAR-POS-0daf6b7e-41
0.205
LIL-FNM-97d58b1d-1
0.195
DAV-IMP-59dd6621-30
0.190
ABI-SAT-27442b71-3
0.184
KEN-ILL-f8fa3277-4
0.182
OLE-CAR-5b17bec5-6
0.178
MAR-TRE-1c920f6f-20
0.178
LON-WEI-b2874fec-4
0.174
BEN-BAS-c3742787-1
0.172
MAR-TRE-0fda4e82-31
0.172
WIL-UNI-1faa9b10-18
0.171
MAR-TRE-67513f76-34
0.168
LON-WEI-b2874fec-14
0.168
TAT-ENA-80bfd3e5-38
0.167
MAR-TRE-7f7bb9f0-60
0.165
JAR-IMP-dd656357-7
0.163
MAK-UNK-c8c8f7e2-42
0.163
AAR-UNI-c25c2f1e-25
0.160
KRI-MAR-d2e3ef86-17
0.159
EMI-TUK-a58865cc-7
0.159
AAR-POS-0daf6b7e-32
0.158
WIL-UNI-1faa9b10-36
0.158
MAR-UCB-195bc32d-32
0.157
MAR-UCB-195bc32d-11
0.157
LON-WEI-4d77710c-74
0.156
LON-WEI-5e7d1b3e-74
0.156
JAG-UCB-ef2c0e8e-4
0.156
MAR-TRE-b77b7921-96
0.156
DEM-REL-172c3d60-4
0.156
MAR-TRE-e86a56b5-71
0.155
JAG-UCB-ef2c0e8e-8
0.155
NIM-UNI-0ea3b7bf-5
0.155
DAR-DIA-43a5904b-4
0.155
DAR-DIA-9e4459de-6
0.154
DAR-DIA-9e4459de-1
0.154
DAN-PUR-3907f623-2
0.154
DOU-UNK-b5326f8f-11
0.154
EMI-TUK-a58865cc-1
0.154
KEI-UNI-85a52787-4
0.153
MAK-UNK-b1d4dcd7-8
0.153
AAR-UNI-c25c2f1e-7
0.153
WIL-UNI-1faa9b10-41
0.153
RIT-AID-1c9a4e61-1
0.153
RAF-POL-950dada1-16
0.153
MAR-TRE-2fd8122f-41
0.152
VIC-UNI-33d4332f-2
0.152
JAG-SYN-9c2cd0bd-14
0.152
MAK-UNK-c8c8f7e2-15
0.152
MAK-UNK-7a704a63-8
0.152
MAR-TRE-fffca54f-94
0.152
JAS-UND-c13ee042-2
0.152
SAD-SAT-24589cd1-2
0.151
WIL-UNI-1faa9b10-46
0.151
WIL-UNI-1faa9b10-51
0.151
MAR-TRE-e86a56b5-24
0.151
MAR-UCB-195bc32d-52
0.151
MAR-TRE-a3327163-37
0.151
MAK-UNK-ec98eaf6-12
0.151
AVI-UNI-a66764d4-3
0.151
MEL-NAT-8c3652c8-5
0.151
VLA-UNK-c3e99b7a-8
0.150
MAR-TRE-d3c2bf0e-78
0.150
MAK-UNK-c8c8f7e2-2
0.150
MAK-UNK-7a704a63-11
0.150
EDJ-MED-c292668a-2
0.150
MAR-TRE-67513f76-5
0.149
MAR-TRE-2fd8122f-49
0.149
MAN-SYN-45e45961-10
0.149
MAR-TRE-e86a56b5-56
0.149
MAN-SYN-45e45961-5
0.149
DRR-IMP-db50bf6e-3
0.149
UNK-CYC-68f84b31-63
0.149
MAR-TRE-4b834d9a-85
0.149
JOR-UNI-2fc98d0b-13
0.149
IAN-BAS-8ad3d156-1
0.148
MAK-UNK-c8c8f7e2-44
0.148
MAR-TRE-f5c2d31c-30
0.148
MAR-TRE-f5c2d31c-65
0.148
MAK-UNK-9e4a73aa-4
0.148
IAN-BAS-df1706d7-1
0.148
RED-RED-10c9212c-40
0.147
DAR-DIA-43a5904b-2
0.147