Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cccc(C2(C)CC2)c1 |
MW: | 280.16 |
Fraction sp3: | 0.33 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 41.99 |
cLogP: | 3.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0cde14eb-4
0.761
DAR-DIA-0cde14eb-2
0.746
DAR-DIA-0cde14eb-3
0.735
DAR-DIA-0cde14eb-14
0.704
ALP-POS-95b75b4d-4
0.634
ALP-POS-95b75b4d-2
0.627
EDJ-MED-e58735b6-2
0.627
TRY-UNI-714a760b-6
0.627
JAN-GHE-83b26c96-13
0.627
JAN-GHE-83b26c96-12
0.618
ALP-POS-95b75b4d-1
0.618
EDJ-MED-e58735b6-1
0.600
DAR-DIA-0cde14eb-78
0.597
ALP-POS-95b75b4d-3
0.592
DAR-DIA-0cde14eb-76
0.592
JAN-GHE-83b26c96-14
0.592
ANN-UNI-98d2bf15-2
0.592
TRY-UNI-714a760b-20
0.583
DAR-DIA-0cde14eb-79
0.575
EDJ-MED-e58735b6-3
0.575
DAR-DIA-0cde14eb-31
0.570
ANN-UNI-98d2bf15-5
0.568
DAR-DIA-0cde14eb-46
0.564
TRY-UNI-714a760b-5
0.561
DAR-DIA-0cde14eb-5
0.554
DAR-DIA-0cde14eb-77
0.553
SAD-SAT-7d5528d9-1
0.544
EDJ-MED-e58735b6-4
0.538
BRU-LEF-c49414a7-1
0.537
RAL-THA-901e9a10-7
0.537
DAR-DIA-0cde14eb-16
0.537
DAR-DIA-0cde14eb-10
0.526
JAN-GHE-83b26c96-11
0.515
VLA-UCB-00f2c2b3-1
0.513
DAR-DIA-0cde14eb-61
0.506
TRY-UNI-2eddb1ff-2
0.500
EDG-MED-0da5ad92-8
0.500
MIH-UNI-6b9ca91a-1
0.493
DAR-DIA-0cde14eb-64
0.487
ALP-POS-f13221e1-4
0.487
MAT-POS-590ac91e-6
0.486
DAR-DIA-0cde14eb-63
0.481
VLA-UCB-00f2c2b3-2
0.481
DAR-DIA-0cde14eb-62
0.481
BEN-DND-93268d01-6
0.481
MAT-POS-590ac91e-9
0.479
GAB-REV-70cc3ca5-20
0.473
GAB-REV-70cc3ca5-18
0.469
TRY-UNI-2eddb1ff-1
0.468
DAR-DIA-0cde14eb-18
0.466
DAR-DIA-0cde14eb-19
0.466
DAR-DIA-0cde14eb-17
0.466
MAT-POS-590ac91e-24
0.466
EDJ-MED-c9f55a56-1
0.466
ALE-HEI-f28a35b5-12
0.464
DAR-DIA-0cde14eb-74
0.463
MAK-UNK-6ca90168-26
0.462
RAL-THA-901e9a10-8
0.460
ANN-UNI-98d2bf15-1
0.459
JOH-UNI-abfda500-6
0.459
RAL-THA-6b94ceba-15
0.457
RAL-THA-6b94ceba-6
0.456
MAT-POS-c9973a83-1
0.456
MAT-POS-f42f3716-5
0.456
MAT-POS-e501d84c-1
0.452
ALE-HEI-f28a35b5-3
0.452
WAR-XCH-e55cba98-11
0.451
DAR-DIA-0cde14eb-29
0.451
MAT-POS-044491d2-6
0.449
BEN-DND-93268d01-4
0.447
MAT-POS-590ac91e-10
0.446
RAL-THA-6b94ceba-7
0.444
RAL-THA-6b94ceba-13
0.444
DAR-DIA-23e5a6a0-29
0.443
EDG-MED-0da5ad92-11
0.443
JAN-GHE-83b26c96-20
0.443
GAB-REV-70cc3ca5-13
0.442
ASH-SAT-43770c7d-9
0.441
ADA-UCB-6c2cb422-4
0.440
WIL-MOD-03b86a88-2
0.440
MAT-POS-590ac91e-15
0.440
MAT-POS-590ac91e-17
0.440
RAL-THA-6b94ceba-5
0.439
THO-SYG-cc9e9a11-2
0.439
GAB-REV-70cc3ca5-23
0.439
MAT-POS-044491d2-2
0.438
DAR-DIA-23e5a6a0-30
0.438
RAL-THA-901e9a10-1
0.437
CHR-SOS-e960e883-6
0.437
BEN-DND-93268d01-7
0.436
BAR-COM-0f94fc3d-28
0.435
EDG-MED-0da5ad92-6
0.434
BEN-DND-93268d01-5
0.434
RAL-THA-6b94ceba-14
0.434
RAL-THA-6b94ceba-16
0.434
WIL-MOD-03b86a88-3
0.434
RAL-THA-6b94ceba-12
0.434
WIL-MOD-03b86a88-5
0.434
DAR-DIA-23e5a6a0-23
0.433
CHR-SOS-e960e883-4
0.433