Molecular Properties | |
SMILES: | N#Cc1ccccc1OCCOCCN1CCCCC1 |
MW: | 274.17 |
Fraction sp3: | 0.56 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 45.49 |
cLogP: | 2.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7244878210 |
MolPort: | MolPort-002-304-165 |
Aliphatic long chain
Long aliphatic chain
Unbranched chain
MAR-TRE-a3327163-94
0.767
MAR-TRE-a3327163-4
0.714
MAR-TRE-a3327163-49
0.714
MAR-TRE-1c920f6f-76
0.692
MAR-TRE-a3327163-56
0.530
MAR-TRE-a3327163-64
0.507
MAR-TRE-a3327163-23
0.493
MAR-TRE-a3327163-44
0.432
MAR-TRE-0fda4e82-99
0.408
MAR-TRE-0fda4e82-95
0.403
MAR-TRE-0fda4e82-71
0.392
MAR-TRE-a3327163-69
0.387
MAR-TRE-a3327163-59
0.367
MAR-TRE-a3327163-65
0.360
MAR-TRE-14ce9fd6-3
0.355
MAR-TRE-a3327163-91
0.296
MAR-TRE-423310b6-11
0.235
JAR-KUA-672ec752-5
0.235
MAR-TRE-14ce9fd6-63
0.225
KAT-FAI-9b65c29e-1
0.224
MAK-UNK-6ca90168-9
0.222
MAR-TRE-1c920f6f-93
0.221
JOH-IMS-7e73aedd-4
0.221
MAR-TRE-14ce9fd6-87
0.214
JOR-UNI-61e7b1d5-30
0.214
WAR-XCH-72a8c209-14
0.210
MAR-TRE-6a44bbf2-7
0.209
AAR-POS-d2a4d1df-37
0.209
JOR-UNI-61e7b1d5-31
0.209
MAR-TRE-6c5ef77a-77
0.208
MAR-TRE-87acfbcc-78
0.207
WAR-XCH-b0339bbe-8
0.207
MAR-TRE-fd17a9b8-38
0.205
SAD-SAT-f2e2579e-4
0.204
WAR-XCH-b0339bbe-13
0.200
MAR-TRE-04c86cea-34
0.200
MAR-TRE-1c920f6f-83
0.200
MAK-UNK-6ca90168-6
0.200
MAR-TRE-1c920f6f-82
0.198
MAR-TRE-b77b7921-73
0.196
SEA-TRI-fac72a44-1
0.195
SAD-SAT-2ceae68f-4
0.194
MAK-UNK-6ca90168-8
0.193
SEA-TRI-078a8df3-1
0.193
MAR-TRE-0fda4e82-88
0.193
WAR-XCH-79d12f6e-2
0.191
MAK-UNK-6ca90168-7
0.191
MAR-TRE-0fda4e82-52
0.190
TOB-UNK-c2aba166-4
0.190
SEA-TRI-38830027-1
0.189
WAR-XCH-b72a1bbc-19
0.188
WAR-XCH-72a8c209-11
0.186
MAR-TRE-14ce9fd6-1
0.185
WAR-XCH-b0339bbe-14
0.184
MAR-TRE-0fda4e82-5
0.182
MAK-UNK-3f402c2b-13
0.181
SEA-TRI-ec70a9dd-1
0.180
BAR-COM-4e090d3a-26
0.180
MAT-POS-90fd5f68-32
0.179
MAT-POS-90fd5f68-14
0.177
ED_-GRI-5b13fbe2-65
0.177
LON-WEI-b2874fec-23
0.176
MAT-POS-35d3f55a-2
0.176
WAR-XCH-b72a1bbc-20
0.176
MAR-TRE-0fda4e82-27
0.176
SEA-TRI-98d2cd42-1
0.176
MAT-POS-590ac91e-61
0.176
MAR-TRE-1c920f6f-10
0.176
SAD-SAT-2fd372d1-6
0.176
MAK-UNK-1bb0b7ee-12
0.175
LOR-NOR-30067bb9-4
0.175
EDJ-MED-468565e0-1
0.175
MAR-TRE-6c5ef77a-88
0.175
JOR-UNI-2fc98d0b-17
0.175
MAT-POS-b5746674-118
0.174
BEN-DND-93268d01-11
0.174
BAR-COM-4e090d3a-27
0.174
MAT-POS-590ac91e-62
0.174
WAR-XCH-72a8c209-6
0.173
CLI-UNI-032f7715-1
0.173
MAR-TRE-0fda4e82-39
0.173
NAU-LAT-445f63e5-4
0.172
MAR-TRE-0fda4e82-34
0.172
SKY-OHS-b36f3c04-1
0.172
WAR-XCH-72a8c209-10
0.172
ERI-UCB-ce40166b-25
0.171
MAK-UNK-a7992eb3-19
0.171
MAT-POS-ea426761-90
0.171
MAR-TRE-a3327163-73
0.171
JOO-PER-74f994a9-1
0.171
MAR-TRE-0fda4e82-32
0.171
JAG-SYN-9c2cd0bd-11
0.171
MAR-TRE-6c5ef77a-8
0.170
RAL-THA-2d450e86-40
0.170
PET-SGC-0ecb2cfe-1
0.170
DRV-UNK-64047f27-4
0.170
DRV-UNK-dd7f8c68-5
0.170
DAR-DIA-8e329c92-7
0.170
MAK-UNK-148caf23-18
0.169
IND-SYN-64980207-1
0.169