Molecular Properties | |
SMILES: | O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCCN1CCOCC1 |
MW: | 346.16 |
Fraction sp3: | 0.47 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 96.43 |
cLogP: | -0.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9522931236 |
MolPort: | MolPort-000-846-237 |
Aliphatic long chain
Filter82_pyridinium
Long aliphatic chain
MAR-TRE-0fda4e82-3
0.537
MAR-TRE-fd17a9b8-10
0.511
MAR-TRE-67513f76-15
0.465
MAR-TRE-fd17a9b8-1
0.465
MAR-TRE-9c797165-29
0.410
MAR-TRE-a3327163-3
0.404
MAR-TRE-fd17a9b8-69
0.402
MAR-TRE-fd17a9b8-67
0.389
MAR-TRE-66ac689e-91
0.383
AAR-UNI-c25c2f1e-66
0.378
MAR-TRE-fd17a9b8-55
0.378
MAR-TRE-fd17a9b8-68
0.363
MAR-TRE-3e4e6814-100
0.361
MAR-TRE-fd17a9b8-39
0.360
MAR-TRE-4b834d9a-82
0.360
MAR-TRE-7f7bb9f0-71
0.358
MAR-TRE-fd17a9b8-9
0.356
MAR-TRE-fd17a9b8-5
0.356
MAR-TRE-fd17a9b8-24
0.353
MAR-LAB-ff9967db-17
0.351
MAR-TRE-fd17a9b8-87
0.349
MAR-TRE-9c797165-64
0.346
MAR-TRE-3e4e6814-25
0.346
MAR-TRE-d0525fbf-26
0.339
JON-UNI-57097b3f-6
0.327
DAR-DIA-8e329c92-8
0.322
MAR-TRE-67513f76-19
0.314
MAT-POS-b5746674-109
0.302
MAT-POS-2492181e-11
0.302
LON-WEI-4d77710c-16
0.302
LON-WEI-5e7d1b3e-16
0.302
LON-WEI-5e7d1b3e-7
0.294
MAT-POS-b5746674-98
0.294
LON-WEI-4d77710c-7
0.294
MAR-TRE-67513f76-72
0.284
MAR-TRE-fd17a9b8-89
0.280
MAR-TRE-d0525fbf-36
0.280
MAR-TRE-a9136c7b-11
0.278
MAK-UNK-be5ffcbc-7
0.276
GIA-UNK-3f36037a-6
0.275
MAR-TRE-3e4e6814-26
0.274
SAD-SAT-65574d3f-8
0.271
AHN-SAT-de2502ba-12
0.271
MAR-TRE-6a44bbf2-20
0.271
ALP-POS-a3de0cb1-11
0.269
MAR-LAB-ca4662a6-5
0.269
MAT-POS-b5746674-64
0.266
LON-WEI-5e7d1b3e-60
0.265
LON-WEI-4d77710c-60
0.265
MAT-POS-2492181e-6
0.265
MAR-TRE-04c86cea-89
0.265
KEI-TRE-d5e2018a-23
0.264
DUN-NEW-f8ce3686-13
0.264
MAR-TRE-4b834d9a-27
0.264
BEN-DND-7e92b6ca-10
0.262
KRI-MAR-d2e3ef86-5
0.262
ORN-MSD-5b974918-1
0.261
JUL-TUD-06b2044f-152
0.261
MAR-TRE-fd17a9b8-7
0.260
MAT-POS-e1b5ac6b-1
0.257
ROB-UNI-daaf9793-1
0.257
ERI-UCB-a0b0dbcb-12
0.257
ADA-UCB-b1b30a00-1
0.257
AAR-UNI-c25c2f1e-34
0.257
MAR-TRE-6a44bbf2-34
0.255
MAT-POS-b5746674-47
0.254
MAR-TRE-a3327163-23
0.253
DAR-DIA-6a49afbe-5
0.252
BAR-COM-4e090d3a-54
0.250
MAR-TRE-fd17a9b8-62
0.250
JUL-TUD-06b2044f-153
0.250
MAR-TRE-f6f5f473-82
0.250
MAR-TRE-c317dd82-69
0.250
MAT-POS-b5746674-18
0.248
MED-COV-4280ac29-22
0.248
MAT-POS-54c4bf04-1
0.248
MAR-TRE-fd17a9b8-29
0.248
MAR-TRE-0fda4e82-37
0.247
MAR-TRE-74c6519b-93
0.246
MAR-TRE-f6f5f473-94
0.245
BEN-DND-7e92b6ca-5
0.245
MAT-POS-2492181e-2
0.245
MAR-TRE-3159af1a-82
0.243
MAR-TRE-3e4e6814-73
0.243
ERI-UCB-a0b0dbcb-14
0.243
MAR-TRE-f6f5f473-7
0.243
BEN-DND-61647d40-14
0.243
IAN-BAS-647c7407-1
0.242
MAR-TRE-6a44bbf2-67
0.242
ALP-POS-8ed8d9ec-6
0.241
AAR-POS-0daf6b7e-28
0.241
MAR-TRE-3159af1a-52
0.241
SIM-DEM-2843056b-1
0.241
ERI-UCB-ce40166b-25
0.241
RED-RED-10c9212c-53
0.241
MAT-POS-916a2c5a-2
0.241
BEN-DND-7e92b6ca-6
0.240
LON-WEI-4d77710c-3
0.240
LON-WEI-5e7d1b3e-3
0.240
MAR-TRE-b77b7921-25
0.239