Molecular Properties | |
SMILES: | O=C1Nc2cc(N3CCCC3)ccc2C1=O |
MW: | 216.09 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 49.41 |
cLogP: | 1.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2096805307 |
MolPort: | MolPort-012-093-070 |
Order Status | |
Shipped: | 2020-07-21 |
diketo group
Filter41_12_dicarbonyl
Ketone
LOR-NEU-c8f11034-4
0.431
LOR-NEU-c8f11034-3
0.281
LOR-NEU-c8f11034-8
0.278
LOR-NEU-c8f11034-6
0.267
LYN-UNI-c2dd631d-9
0.263
LYN-UNI-7bb260d6-14
0.263
LYN-UNI-c2dd631d-12
0.260
LOR-NOR-30067bb9-13
0.239
PAT-UNK-b2d83456-3
0.233
MAR-LAB-ff9967db-29
0.221
DAV-IMP-59dd6621-6
0.221
WAR-XCH-b6889685-23
0.221
DAR-DIA-0cde14eb-21
0.220
NAU-LAT-b0463c38-5
0.217
WAR-XCH-b6889685-26
0.216
DAR-DIA-0cde14eb-20
0.213
NAU-LAT-b0463c38-7
0.213
AAR-POS-f650c5f2-1
0.213
AAR-POS-5507155c-1
0.213
MAK-UNK-4b073b5c-8
0.213
UNK-UNK-2ede4078-42
0.212
DAR-DIA-0cde14eb-22
0.209
WAR-XCH-b72a1bbc-20
0.208
SAD-SAT-24589cd1-2
0.208
AAR-UNI-c25c2f1e-87
0.207
DAR-DIA-0cde14eb-17
0.207
DAR-DIA-0cde14eb-23
0.207
AHN-SAT-02ef6d10-3
0.206
WAR-XCH-b72a1bbc-19
0.205
LYN-UNI-c2dd631d-5
0.205
LOR-NEU-c8f11034-1
0.203
LOR-NOR-f9b26152-1
0.203
WAR-XCH-b72a1bbc-11
0.203
DAR-DIA-0cde14eb-26
0.202
DAR-DIA-0cde14eb-16
0.200
DAR-DIA-0cde14eb-24
0.200
WAR-XCH-b72a1bbc-10
0.200
JEF-THE-add32b9a-1
0.200
WAR-XCH-b6889685-25
0.200
UNK-UNK-2ede4078-92
0.198
WAR-XCH-b72a1bbc-1
0.197
GER-UNI-caecb3b0-1
0.195
LYN-UNI-0d9431a4-4
0.195
WAR-XCH-b6889685-24
0.194
WAR-XCH-b72a1bbc-6
0.194
DAR-DIA-0cde14eb-18
0.194
DAR-DIA-0cde14eb-19
0.194
DAR-DIA-0cde14eb-25
0.194
LYN-UNI-b265e4fd-4
0.193
DAR-DIA-0cde14eb-27
0.191
DAR-DIA-0cde14eb-28
0.191
MAT-POS-450cb4f9-1
0.191
WAR-XCH-b6889685-29
0.189
MAR-TRE-8190bb11-27
0.189
WAR-XCH-b6889685-54
0.188
LYN-UNI-c2dd631d-6
0.188
DAR-DIA-0cde14eb-29
0.188
WAR-XCH-b6889685-47
0.188
LOR-NOR-30067bb9-14
0.188
AAR-UNI-c25c2f1e-47
0.186
SAD-SAT-7d5528d9-9
0.186
SAD-SAT-5b1897b2-4
0.186
MAR-TRE-7f7bb9f0-54
0.185
WAR-XCH-b6889685-48
0.185
MAK-UNK-bdda130a-3
0.185
DAR-DIA-0cde14eb-30
0.184
JOH-UNI-abdb2f0c-4
0.183
WAR-XCH-b72a1bbc-14
0.182
MAR-TRE-fffca54f-28
0.182
WAR-XCH-b6889685-31
0.182
WAR-XCH-b6889685-36
0.182
WAR-XCH-b6889685-37
0.182
WAR-XCH-b72a1bbc-9
0.182
WAR-XCH-b6889685-39
0.181
WAR-XCH-b6889685-30
0.179
WAR-XCH-b6889685-32
0.179
WAR-XCH-b6889685-43
0.179
MAT-POS-8fd29122-2
0.179
MAT-POS-162a9720-4
0.179
LYN-UNI-7bb260d6-10
0.179
WAR-XCH-b6889685-35
0.179
WAR-XCH-b6889685-42
0.179
LYN-UNI-0d9431a4-3
0.179
MAK-UNK-7a704a63-18
0.178
MAK-UNK-c8c8f7e2-41
0.178
WAR-XCH-b72a1bbc-5
0.178
WAR-XCH-b72a1bbc-31
0.178
UNK-UNK-2ede4078-79
0.178
FRA-BIO-8bf1eac9-12
0.178
MAT-POS-162a9720-3
0.177
NAU-LAT-445f63e5-5
0.177
WAR-XCH-b6889685-14
0.176
WAR-XCH-b6889685-49
0.176
MAR-LAB-ff9967db-16
0.176
MAR-TRE-a9136c7b-65
0.176
WAR-XCH-b6889685-34
0.176
MAR-TRE-2fd8122f-8
0.176
NAU-LAT-ec9c7557-2
0.176
WAR-XCH-b6889685-55
0.176
WAR-XCH-b72a1bbc-18
0.176