Molecular Properties | |
SMILES: | Cc1ccncc1CC(=O)Nc1cc(Cl)cc2c1CNCC2=O |
MW: | 329.09 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 71.09 |
cLogP: | 2.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketone
BEN-DND-93268d01-8
ADA-UCB-6c2cb422-3
0.489
NAU-LAT-3f5f3993-6
0.464
NAU-LAT-3f5f3993-7
0.447
NAU-LAT-3f5f3993-8
0.447
MIC-UNK-ea979c74-1
0.440
EDJ-MED-49816e9b-1
0.439
TRY-UNI-bbd40bb4-2
0.370
ADA-UCB-6c2cb422-4
0.368
NAU-LAT-30527ac5-2
0.368
RAL-THA-6b94ceba-5
0.366
RAL-THA-6b94ceba-11
0.365
RAL-THA-6b94ceba-6
0.363
TRY-UNI-2eddb1ff-7
0.360
WIL-MOD-03b86a88-1
0.360
RAL-THA-6b94ceba-7
0.355
WIL-MOD-03b86a88-2
0.354
RAL-THA-6b94ceba-15
0.351
MAT-POS-e501d84c-1
0.351
MAT-POS-044491d2-5
0.349
EDJ-MED-c9f55a56-1
0.349
MAT-POS-c9973a83-1
0.348
WIL-MOD-03b86a88-3
0.347
RAL-THA-6b94ceba-16
0.347
WIL-MOD-03b86a88-5
0.347
RAL-THA-6b94ceba-12
0.347
RAL-THA-6b94ceba-14
0.347
TRY-UNI-2eddb1ff-2
0.345
EDG-MED-0da5ad92-8
0.345
NAU-LAT-0543f7f2-7
0.344
RAL-THA-6b94ceba-8
0.344
NAU-LAT-0543f7f2-5
0.343
ENA-ENA-cf881d10-1
0.343
DAR-DIA-23e5a6a0-30
0.343
TRY-UNI-714a760b-6
0.341
RAL-THA-6b94ceba-13
0.340
EDG-MED-0da5ad92-7
0.340
RAL-THA-6b94ceba-9
0.340
WIL-MOD-03b86a88-4
0.340
MAT-POS-f42f3716-4
0.340
MAT-POS-f42f3716-6
0.337
DAR-DIA-23e5a6a0-24
0.337
MAT-POS-f42f3716-3
0.333
DAR-DIA-23e5a6a0-26
0.333
DAR-DIA-23e5a6a0-27
0.333
DAR-DIA-23e5a6a0-29
0.333
MAT-POS-044491d2-2
0.330
RAL-THA-6b94ceba-10
0.330
WIL-MOD-03b86a88-6
0.330
BEN-DND-09b88bf4-4
0.330
BEN-DND-6de5dfa0-4
0.330
MAT-POS-f42f3716-9
0.327
DAR-DIA-23e5a6a0-22
0.327
DAR-DIA-23e5a6a0-23
0.327
DAR-DIA-23e5a6a0-25
0.327
MAT-POS-f42f3716-1
0.327
NAU-LAT-0543f7f2-6
0.327
MIC-UNK-ea979c74-3
0.324
MAT-POS-f42f3716-7
0.324
MAT-POS-044491d2-1
0.324
NAU-LAT-0543f7f2-1
0.324
RAL-THA-901e9a10-6
0.324
NAU-LAT-0543f7f2-8
0.324
MAT-POS-044491d2-3
0.324
JAN-GHE-83b26c96-12
0.322
DAR-DIA-23e5a6a0-28
0.321
MAT-POS-f42f3716-5
0.321
RAL-THA-901e9a10-8
0.320
MAT-POS-173a45da-2
0.319
NAU-LAT-0543f7f2-3
0.318
NAU-LAT-30527ac5-5
0.318
MAK-UNK-f203cb68-4
0.317
BAR-COM-0f94fc3d-48
0.317
MAT-POS-044491d2-4
0.317
MAK-UNK-6ca90168-26
0.316
DAR-DIA-0cde14eb-1
0.316
ALP-POS-95b75b4d-4
0.316
MAT-POS-f42f3716-8
0.315
DAR-DIA-23e5a6a0-21
0.315
NAU-LAT-0543f7f2-4
0.315
ANN-UNI-98d2bf15-1
0.315
JOH-UNI-abfda500-6
0.315
RAL-THA-6b94ceba-1
0.314
MAT-POS-044491d2-6
0.314
RAL-THA-6b94ceba-3
0.314
RAL-THA-6b94ceba-4
0.314
RAL-THA-901e9a10-1
0.314
MAT-POS-044491d2-7
0.314
ALP-POS-f13221e1-4
0.312
RAL-THA-901e9a10-3
0.311
TRY-UNI-2eddb1ff-6
0.311
RAL-THA-6b94ceba-2
0.311
MAT-POS-f42f3716-2
0.311
JAN-GHE-83b26c96-13
0.311
BAR-COM-0f94fc3d-26
0.311
RAL-THA-901e9a10-5
0.311
BAR-COM-0f94fc3d-28
0.310
CHO-MSK-6e55470f-20
0.310
THO-SYG-cc9e9a11-2
0.309
RAL-THA-901e9a10-2
0.308
RAL-THA-901e9a10-7
0.307