Molecular Properties | |
SMILES: | CCn1cc(-c2cccc(Cl)c2)c(=O)n(-c2cccnc2)c1=O |
MW: | 327.08 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 56.89 |
cLogP: | 2.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter82_pyridinium
PET-UNK-94460c07-5
0.716
PET-UNK-94460c07-4
0.610
PET-UNK-94460c07-2
0.523
PET-UNK-4dc48bbe-3
0.519
NIM-UNI-534877e5-2
0.444
PET-UNK-94460c07-3
0.439
RAI-NOV-c18e0037-3
0.402
PET-UNK-4dc48bbe-5
0.383
PET-UNK-94460c07-1
0.374
MAK-UNK-9e4a73aa-35
0.367
MAK-UNK-9e4a73aa-18
0.361
PET-UNK-5eca9d1d-1
0.360
PET-UNK-4dc48bbe-7
0.357
PET-UNK-7a31b064-6
0.356
MAK-UNK-9e4a73aa-10
0.349
MAK-UNK-9e4a73aa-36
0.348
PET-UNK-4dc48bbe-2
0.345
MAK-UNK-9e4a73aa-34
0.344
MAK-UNK-9e4a73aa-33
0.344
MAK-UNK-9e4a73aa-26
0.341
MAK-UNK-9e4a73aa-25
0.341
MAK-UNK-9e4a73aa-27
0.341
MAK-UNK-9e4a73aa-23
0.341
MAK-UNK-9e4a73aa-24
0.341
RAI-NOV-c18e0037-2
0.341
MAK-UNK-9e4a73aa-22
0.341
MAK-UNK-9e4a73aa-19
0.341
RAI-NOV-c18e0037-7
0.338
MAK-UNK-9e4a73aa-12
0.337
ADA-UCB-6c2cb422-5
0.337
NIM-UNI-534877e5-3
0.336
MAK-UNK-9e4a73aa-17
0.333
PET-UNK-4dc48bbe-1
0.330
MAK-UNK-9e4a73aa-32
0.326
MAR-TRE-74c6519b-18
0.325
RAI-NOV-c18e0037-4
0.321
PET-UNK-7a31b064-5
0.319
MAK-UNK-9e4a73aa-21
0.319
MAK-UNK-9e4a73aa-20
0.315
RAI-NOV-c18e0037-1
0.315
JAN-GHE-83b26c96-18
0.310
MED-COV-4280ac29-3
0.309
MAK-UNK-9e4a73aa-11
0.307
MAK-UNK-9e4a73aa-7
0.304
PET-UNK-e8933450-1
0.296
SAD-SAT-135344c3-8
0.296
RAI-NOV-c18e0037-5
0.295
ERI-UCB-ce40166b-22
0.294
ERI-UCB-ce40166b-24
0.293
MAT-POS-67c9d7d9-1
0.291
MAK-UNK-9e4a73aa-8
0.290
STE-UNK-28609fce-1
0.290
DAR-DIA-5d6f1b43-33
0.290
NIM-UNI-0ea3b7bf-4
0.287
NIM-UNI-7f77122c-3
0.286
CHR-SOS-7098f804-12
0.280
MAR-TRE-04c86cea-13
0.280
DAR-DIA-53551c05-3
0.280
NIM-UNI-0ea3b7bf-1
0.280
PET-UNK-4dc48bbe-9
0.279
DAR-DIA-5d6f1b43-1
0.278
EDJ-MED-e66f2cc5-2
0.278
ADA-UNI-f8e79267-12
0.277
MAR-TRE-b77b7921-33
0.273
DAR-DIA-5d6f1b43-14
0.272
VLA-UCB-00f2c2b3-5
0.272
ADA-UCB-6c2cb422-6
0.271
DAR-DIA-5d6f1b43-15
0.269
PET-UNK-5eca9d1d-2
0.269
MAK-UNK-9e4a73aa-9
0.269
MAK-UNK-9e4a73aa-3
0.268
JAN-GHE-83b26c96-16
0.267
JAG-UCB-cedd89ab-1
0.267
NIM-UNI-36e12f95-3
0.264
NIM-UNI-7f77122c-1
0.263
VLA-UNK-792b5d03-1
0.263
DAR-DIA-53551c05-14
0.262
MAR-TRE-d0525fbf-84
0.262
MAR-TRE-74c6519b-26
0.262
TRY-UNI-714a760b-6
0.261
NIM-UNI-0ea3b7bf-5
0.261
ADA-UNI-f8e79267-9
0.260
EDG-MED-0da5ad92-2
0.259
JAN-GHE-83b26c96-24
0.258
EDG-MED-0da5ad92-19
0.258
PET-UNK-5eca9d1d-3
0.258
MAR-TRE-04c86cea-65
0.257
DAR-DIA-fc970077-3
0.256
BAR-COM-0f94fc3d-38
0.255
KEI-TRE-d5e2018a-16
0.255
DAR-DIA-5d6f1b43-16
0.255
VLA-UNK-792b5d03-2
0.254
DAR-DIA-23aa0b97-14
0.253
JAN-GHE-83b26c96-19
0.253
MIC-UNK-5ce21166-1
0.253
WAR-XCH-eb7b662f-7
0.253
JOR-UNI-2fc98d0b-7
0.253
JAN-GHE-83b26c96-25
0.253
NIM-UNI-534877e5-1
0.253
DAR-DIA-5d6f1b43-9
0.253