Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)CN1CCCc2ccccc21 |
MW: | 281.15 |
Fraction sp3: | 0.29 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 45.23 |
cLogP: | 2.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
BEN-DND-6de5dfa0-13
1.000
BEN-DND-22e6b372-4
0.589
BEN-DND-22e6b372-3
0.573
BEN-DND-93268d01-9
0.493
BEN-DND-93268d01-11
0.493
BEN-DND-09b88bf4-5
0.493
BEN-DND-22e6b372-2
0.481
PET-SGC-05cff2e1-1
0.479
BEN-DND-22e6b372-1
0.470
BEN-DND-93268d01-10
0.468
EDJ-MED-3c65e9ce-1
0.462
BEN-DND-93268d01-8
0.462
EDJ-MED-3c65e9ce-4
0.456
NAU-LAT-3f5f3993-5
0.444
BEN-DND-6de5dfa0-5
0.444
BEN-DND-6de5dfa0-3
0.444
BEN-DND-09b88bf4-3
0.444
BEN-DND-09b88bf4-8
0.440
BEN-DND-6de5dfa0-6
0.440
NIR-THE-b7e8e081-1
0.439
BEN-DND-03406596-7
0.439
BEN-DND-6de5dfa0-1
0.439
BEN-DND-6de5dfa0-4
0.439
BEN-DND-09b88bf4-4
0.439
BEN-DND-09b88bf4-2
0.439
BEN-DND-09b88bf4-1
0.437
BEN-DND-6de5dfa0-2
0.437
TRY-UNI-714a760b-5
0.434
BEN-DND-6de5dfa0-16
0.434
BEN-DND-6de5dfa0-7
0.434
NIR-THE-b7e8e081-2
0.434
BEN-DND-09b88bf4-6
0.434
BEN-DND-6de5dfa0-14
0.429
PET-SGC-6e7c5dc0-1
0.429
RED-SAT-26a928c9-1
0.427
ANU-UNK-2781581f-1
0.427
ALE-HEI-f28a35b5-12
0.427
BEN-DND-6de5dfa0-9
0.425
ASH-SAT-43770c7d-9
0.425
BEN-DND-6de5dfa0-15
0.424
MAK-UNK-6ca90168-26
0.423
BEN-DND-93268d01-13
0.420
SAM-UNK-2684b532-9
0.418
ALP-POS-90c18d1d-1
0.418
BEN-DND-93268d01-4
0.415
BAR-COM-0f94fc3d-41
0.409
BEN-DND-09b88bf4-7
0.409
MAT-POS-590ac91e-11
0.408
MAT-POS-590ac91e-17
0.407
ANN-UNI-98d2bf15-1
0.407
JOH-UNI-abfda500-6
0.407
BAR-COM-0f94fc3d-18
0.404
BEN-DND-6de5dfa0-8
0.404
ALP-POS-95b75b4d-2
0.402
MIH-UNI-6b9ca91a-1
0.400
ALE-HEI-f28a35b5-3
0.400
TRY-UNI-714a760b-10
0.400
ALE-HEI-f28a35b5-6
0.400
EDG-MED-0da5ad92-4
0.400
DAR-DIA-0cde14eb-2
0.398
JAN-GHE-83b26c96-12
0.398
JAN-GHE-83b26c96-11
0.397
ADA-UCB-6c2cb422-4
0.396
MAT-POS-590ac91e-10
0.395
ALE-HEI-f28a35b5-10
0.395
TAM-UNI-c140e31a-12
0.394
MAT-POS-590ac91e-6
0.392
DAR-DIA-0cde14eb-18
0.392
MAT-POS-590ac91e-15
0.390
DAR-DIA-0cde14eb-16
0.389
MAK-UNK-902cc841-15
0.389
WAR-XCH-e55cba98-11
0.389
BEN-DND-93268d01-7
0.388
MAT-POS-590ac91e-9
0.388
MAT-POS-590ac91e-7
0.388
DAR-DIA-0cde14eb-1
0.386
ALP-POS-95b75b4d-4
0.386
DAR-DIA-0cde14eb-61
0.386
PET-SGC-2e937068-1
0.386
EDJ-MED-e58735b6-2
0.386
TRY-UNI-714a760b-6
0.386
JAN-GHE-83b26c96-13
0.386
DAR-DIA-0cde14eb-76
0.384
ALP-POS-95b75b4d-3
0.384
JAN-GHE-83b26c96-14
0.384
MAT-POS-590ac91e-23
0.383
DAR-DIA-0cde14eb-62
0.382
DAR-DIA-0cde14eb-63
0.382
GAB-REV-70cc3ca5-9
0.382
BAR-COM-0f94fc3d-48
0.381
ALP-POS-95b75b4d-1
0.381
SCO-VAN-260d9628-1
0.380
ALE-HEI-f28a35b5-17
0.380
EDJ-MED-c9f55a56-1
0.378
MAT-POS-590ac91e-24
0.378
DAR-DIA-0cde14eb-4
0.378
DAR-DIA-0cde14eb-77
0.378
DAR-DIA-0cde14eb-3
0.378
DAR-DIA-0cde14eb-17
0.378
DAR-DIA-0cde14eb-19
0.378