Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)C(CN1CCC(O)CC1)c1ccccc1 |
MW: | 339.19 |
Fraction sp3: | 0.4 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 65.46 |
cLogP: | 2.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-93268d01-3
0.629
BEN-DND-93268d01-2
0.573
ALP-POS-90c18d1d-1
0.548
PED-UNI-5b7f1100-1
0.537
PED-UNI-8d53fd73-1
0.537
DAN-RED-da448e80-1
0.537
DRE-WAB-eb790b7a-1
0.537
ABI-SAT-4d06482b-1
0.507
SAM-UNK-2684b532-8
0.506
SAM-UNK-2684b532-9
0.494
TRY-UNI-714a760b-17
0.493
AHN-SAT-202241f6-1
0.493
MIH-UNI-6b9ca91a-2
0.466
EDG-MED-0da5ad92-5
0.463
BEN-DND-93268d01-14
0.450
JAN-GHE-83b26c96-8
0.437
MAT-POS-590ac91e-5
0.436
ASH-UNK-40b46b30-8
0.435
TRY-UNI-9f475305-2
0.429
NAU-LAT-3f5f3993-1
0.427
PET-SGC-a8a902d9-1
0.426
TRY-UNI-9f475305-1
0.423
DOU-UNK-b5326f8f-18
0.421
SAM-UNK-2684b532-1
0.420
ALP-POS-3fc1724e-6
0.415
EDJ-MED-3c65e9ce-4
0.415
MAT-POS-590ac91e-14
0.410
DAN-RED-da448e80-17
0.409
MAK-UNK-f203cb68-3
0.407
DAN-RED-da448e80-9
0.404
DAN-RED-da448e80-5
0.404
TRY-UNI-714a760b-16
0.402
BEN-DND-6de5dfa0-10
0.402
MAT-POS-590ac91e-2
0.400
ERI-UCB-5b47150d-1
0.400
MAT-POS-590ac91e-1
0.400
NAU-LAT-3f5f3993-2
0.398
BEN-DND-93268d01-13
0.398
TRY-UNI-714a760b-4
0.397
ALE-HEI-f28a35b5-1
0.397
DAN-RED-da448e80-13
0.396
BEN-DND-93268d01-11
0.395
VLA-UCB-05e51b3f-2
0.394
NAU-LAT-a5c7d7cb-3
0.394
TRY-UNI-714a760b-5
0.392
BEN-DND-6de5dfa0-14
0.391
BEN-DND-6de5dfa0-15
0.386
EDJ-MED-3c65e9ce-1
0.386
BEN-DND-93268d01-8
0.386
PET-SGC-d5b502b1-1
0.385
BEN-DND-6de5dfa0-2
0.385
WIL-WAB-6ef46ddb-1
0.385
BEN-DND-09b88bf4-1
0.385
WAR-XCH-e55cba98-11
0.385
MAT-POS-590ac91e-13
0.385
JAN-GHE-83b26c96-4
0.384
JAN-GHE-83b26c96-5
0.384
TRY-UNI-2eddb1ff-5
0.384
TRY-UNI-2eddb1ff-4
0.384
TRY-UNI-714a760b-18
0.384
MAK-UNK-6ca90168-27
0.384
MAT-POS-590ac91e-7
0.383
TRY-UNI-714a760b-11
0.383
ALE-HEI-f28a35b5-7
0.383
TRY-UNI-714a760b-22
0.382
TRY-UNI-2eddb1ff-8
0.381
MAK-UNK-f203cb68-1
0.381
JAN-GHE-f4ca5a00-15
0.381
DAR-DIA-0cde14eb-12
0.380
DAR-DIA-0cde14eb-11
0.380
MAT-POS-5d20d11c-1
0.380
MAT-POS-590ac91e-16
0.380
JAN-GHE-83b26c96-9
0.379
CHR-SOS-1f323c23-10
0.379
BEN-DND-09b88bf4-5
0.378
BEN-DND-93268d01-9
0.378
RED-SAT-26a928c9-1
0.376
ANU-UNK-2781581f-1
0.376
ADA-UCB-6c2cb422-9
0.376
ALP-POS-3fc1724e-7
0.375
BEN-DND-09b88bf4-7
0.375
BAR-COM-0f94fc3d-19
0.375
SAD-SAT-7d5528d9-7
0.375
BEN-DND-93268d01-10
0.373
AAR-POS-d2a4d1df-3
0.371
MAK-UNK-6435e6c2-8
0.371
JAN-GHE-83b26c96-10
0.371
CHR-SOS-1f323c23-7
0.371
MAT-POS-590ac91e-6
0.370
MAT-POS-590ac91e-18
0.370
MAK-UNK-902cc841-15
0.370
DAR-DIA-0cde14eb-10
0.370
DAR-DIA-0cde14eb-15
0.368
BEN-DND-09b88bf4-2
0.368
BEN-DND-03406596-7
0.368
BEN-DND-6de5dfa0-4
0.368
BEN-DND-09b88bf4-4
0.368
BEN-DND-6de5dfa0-1
0.368
NIR-THE-b7e8e081-1
0.368
SEB-EST-28768d06-1
0.367