Molecular Properties | |
SMILES: | N#Cc1ccccc1OCCCN1CCOCC1 |
MW: | 246.14 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 45.49 |
cLogP: | 1.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8115953708 |
MolPort: | MolPort-012-597-081 |
Aliphatic long chain
MAR-TRE-a3327163-4
0.694
MAR-TRE-a3327163-56
0.690
MAR-TRE-a3327163-44
0.548
MAR-TRE-0fda4e82-99
0.516
MAR-TRE-a3327163-64
0.508
MAR-TRE-a3327163-94
0.493
MAR-TRE-1c920f6f-6
0.493
MAR-TRE-0fda4e82-71
0.493
MAR-TRE-1c920f6f-76
0.486
MAR-TRE-a3327163-49
0.479
MAR-TRE-a3327163-69
0.443
MAR-TRE-0fda4e82-95
0.420
MAR-TRE-a3327163-59
0.419
MAR-TRE-a3327163-65
0.414
MAR-TRE-14ce9fd6-3
0.408
AAR-POS-0daf6b7e-28
0.328
MAR-TRE-d3c2bf0e-64
0.304
MAR-LAB-ff9967db-17
0.301
MAR-TRE-fd17a9b8-68
0.296
SEA-TRI-38830027-1
0.290
SEA-TRI-fac72a44-1
0.282
SEA-TRI-078a8df3-1
0.279
MAR-TRE-a3327163-98
0.278
MAR-TRE-0fda4e82-37
0.276
MAR-TRE-a3327163-41
0.275
MAR-TRE-d3c2bf0e-47
0.265
MAR-TRE-9c797165-29
0.258
SEA-TRI-67e8f1c7-1
0.257
MAR-TRE-d0525fbf-36
0.257
MAR-LAB-ca4662a6-5
0.253
MAR-TRE-fd17a9b8-20
0.253
MAK-UNK-5d2caa6f-2
0.250
MAR-TRE-9c797165-64
0.250
BAR-COM-4e090d3a-54
0.248
JOH-ILL-da934517-3
0.241
MAR-TRE-67513f76-15
0.240
JOR-UNI-61e7b1d5-16
0.240
MAR-TRE-67513f76-19
0.240
JOH-IMS-1436231f-6
0.239
AAR-POS-0daf6b7e-29
0.239
MAR-TRE-d0525fbf-26
0.239
MAK-UNK-10799360-23
0.236
MAR-TRE-14ce9fd6-63
0.234
MAR-TRE-6c5ef77a-21
0.234
JOR-UNI-61e7b1d5-17
0.234
JOR-UNI-61e7b1d5-3
0.232
PET-SGC-cb83a00c-1
0.232
JOR-UNI-61e7b1d5-4
0.231
JOH-ILL-da934517-2
0.231
MAR-TRE-1c920f6f-93
0.229
MAR-TRE-0fda4e82-52
0.228
AAR-POS-d2a4d1df-21
0.228
LON-WEI-5e7d1b3e-16
0.227
MAT-POS-b5746674-109
0.227
LON-WEI-4d77710c-16
0.227
MAT-POS-2492181e-11
0.227
RED-RED-10c9212c-53
0.223
SAD-SAT-24589cd1-6
0.222
MAR-TRE-fd17a9b8-36
0.222
GIA-UNK-3f36037a-2
0.221
DAR-DIA-8e329c92-8
0.220
JOH-UNI-27ac80fd-12
0.219
MED-COV-4280ac29-22
0.219
MAR-TRE-3e4e6814-16
0.216
MAR-TRE-6c5ef77a-77
0.216
MAK-UNK-6ca90168-9
0.215
MAR-TRE-f5c2d31c-68
0.215
PAT-GYR-de8eec61-7
0.215
ANT-DIA-b7f58f21-9
0.215
SAD-SAT-7d5528d9-19
0.214
MAR-TRE-a9136c7b-11
0.214
MAR-TRE-7f7bb9f0-71
0.214
JOR-UNI-61e7b1d5-10
0.213
GIA-UNK-3f36037a-6
0.212
SIM-DEM-2843056b-1
0.212
MAR-TRE-9c797165-3
0.211
MAK-UNK-9955b1f3-16
0.209
JOR-UNI-61e7b1d5-11
0.209
MAK-UNK-9955b1f3-3
0.208
MAT-POS-b5746674-126
0.208
JUA-UNI-bc099708-3
0.208
MAR-TRE-14ce9fd6-87
0.207
MAK-UNK-6ca90168-6
0.207
MAR-TRE-1c920f6f-83
0.207
MAR-TRE-c317dd82-69
0.207
JOH-UNI-522b0723-10
0.207
MAK-UNK-be3f299e-7
0.206
MAR-TRE-c317dd82-23
0.206
MAR-TRE-fd17a9b8-7
0.204
ROD-UFR-93b30032-1
0.204
WAR-XCH-72a8c209-14
0.204
AAR-POS-d2a4d1df-19
0.203
AAR-POS-d2a4d1df-37
0.202
MAR-TRE-6a44bbf2-7
0.202
JOH-ILL-da934517-4
0.202
MAR-TRE-3e4e6814-25
0.202
MAR-TRE-a3327163-91
0.200
JOR-UNI-2fc98d0b-6
0.200
ERI-UCB-ce40166b-25
0.200
MAK-UNK-748f8b7a-11
0.200