Molecular Properties | |
SMILES: | O=C(O)C1CCCN1C(=O)CCCn1c(=O)[nH]c2ccccc2c1=O |
MW: | 345.13 |
Fraction sp3: | 0.41 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 112.47 |
cLogP: | 0.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3662746162 |
MolPort: | MolPort-006-316-974 |
Filter82_pyridinium
MAR-TRE-fd17a9b8-9
0.813
AAR-UNI-c25c2f1e-66
0.489
MAR-TRE-fd17a9b8-55
0.473
MAR-TRE-fd17a9b8-67
0.472
MAR-TRE-fd17a9b8-69
0.452
MAR-TRE-4b834d9a-82
0.452
MAR-TRE-fd17a9b8-39
0.452
MAR-TRE-fd17a9b8-24
0.442
MAR-TRE-a3327163-3
0.425
MAR-TRE-3e4e6814-100
0.394
MAR-TRE-66ac689e-91
0.387
MAR-TRE-0fda4e82-3
0.371
MAR-TRE-fd17a9b8-20
0.356
MAR-TRE-fd17a9b8-10
0.337
MAR-TRE-fd17a9b8-1
0.309
RED-RED-10c9212c-33
0.280
AAR-POS-fca48359-3
0.279
DAV-UNI-bdcebb58-1
0.279
FAR-UNI-736b943a-4
0.275
AAR-POS-fca48359-7
0.275
DAV-UNI-bdcebb58-4
0.274
MAR-UCB-195bc32d-12
0.271
RED-RED-10c9212c-42
0.267
MAR-TRE-74c6519b-24
0.267
MAR-TRE-3e4e6814-96
0.263
GIA-UNK-d2defdc3-7
0.258
MAR-TRE-4b834d9a-27
0.255
KEI-TRE-d5e2018a-23
0.255
MAT-POS-590ac91e-45
0.254
MAR-SOS-c7881798-2
0.250
JOH-UNI-8a168a37-1
0.250
MAR-SOS-82e3a7c7-1
0.250
EDJ-MED-78f964c8-1
0.248
MAT-POS-916a2c5a-4
0.248
MAT-POS-590ac91e-44
0.243
BEN-DND-7e92b6ca-6
0.242
GIA-UNK-d2defdc3-9
0.242
LON-WEI-4d77710c-3
0.242
LON-WEI-5e7d1b3e-3
0.242
MAT-UCB-70f7c0f7-5
0.241
NAU-LAT-56d5284e-2
0.241
BEN-DND-7e92b6ca-10
0.240
KRI-MAR-d2e3ef86-5
0.240
MAT-POS-b5746674-18
0.240
VLA-UCB-eb340134-3
0.239
MAR-TRE-fd17a9b8-65
0.237
MAR-TRE-fd17a9b8-89
0.236
BEN-DND-7e92b6ca-5
0.235
SER-UNI-400afb01-4
0.235
NAU-LAT-56d5284e-4
0.234
MAR-TRE-87acfbcc-18
0.234
ERI-UCB-a0b0dbcb-5
0.233
MAR-TRE-fffca54f-92
0.233
MEL-NAT-8c3652c8-2
0.232
ERI-UCB-a0b0dbcb-8
0.232
BEN-DND-7e92b6ca-11
0.231
BEN-DND-7e92b6ca-13
0.231
NAU-LAT-56d5284e-1
0.231
KRI-MAR-d2e3ef86-12
0.231
KRI-MAR-d2e3ef86-13
0.231
BEN-DND-7e92b6ca-14
0.231
ERI-UCB-ce40166b-21
0.231
ERI-UCB-a0b0dbcb-6
0.230
KRI-MAR-d2e3ef86-15
0.229
GIA-UNK-d2defdc3-6
0.229
MAR-TRE-c8530538-95
0.229
BEN-DND-7e92b6ca-16
0.229
ERI-UCB-a0b0dbcb-11
0.228
DUN-NEW-f8ce3686-3
0.228
MAT-POS-54c4bf04-1
0.227
LON-WEI-120e5cf5-9
0.227
FEL-WAB-fb168420-2
0.227
BEN-DND-7e92b6ca-12
0.227
MAR-UCB-f313ec4d-5
0.227
MAR-TRE-fd17a9b8-29
0.226
FAR-UNI-736b943a-10
0.226
AAR-POS-fca48359-6
0.226
RED-RED-10c9212c-19
0.225
ALP-POS-3fc1724e-2
0.225
ERI-UCB-ce40166b-17
0.225
DAR-DIA-8e329c92-5
0.224
DAR-DIA-8e329c92-13
0.224
JAN-GHE-82a280f8-1
0.223
RED-RED-10c9212c-55
0.223
JON-UNI-57097b3f-6
0.223
ERI-UCB-a0b0dbcb-2
0.222
MAK-UNK-df1a028e-3
0.222
NAU-LAT-56d5284e-3
0.221
DAR-DIA-8e329c92-4
0.221
NJA-MAN-b8640440-2
0.221
MAT-POS-b5746674-93
0.220
BEN-DND-7e92b6ca-15
0.220
MAR-TRE-3159af1a-37
0.220
MAR-UCB-f313ec4d-1
0.220
ERI-UCB-a0b0dbcb-9
0.220
NIC-BIO-ec630548-2
0.220
ERI-UCB-ce40166b-18
0.220
EDJ-MED-d1cd9639-1
0.219
LON-WEI-4d77710c-59
0.218
LON-WEI-5e7d1b3e-59
0.218