Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Nc1cnn(C2(C)CC2)c1 |
MW: | 271.14 |
Fraction sp3: | 0.36 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 71.84 |
cLogP: | 2.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0cde14eb-68
0.723
DAR-DIA-0cde14eb-69
0.716
DAR-DIA-0cde14eb-67
0.712
DAR-DIA-0cde14eb-66
0.712
DAR-DIA-0cde14eb-70
0.554
DAR-DIA-0cde14eb-61
0.541
TRY-UNI-714a760b-4
0.515
ALE-HEI-f28a35b5-1
0.515
DAR-DIA-0cde14eb-5
0.507
DAR-DIA-0cde14eb-8
0.500
DAR-DIA-0cde14eb-20
0.494
DAR-DIA-0cde14eb-9
0.487
DAR-DIA-0cde14eb-6
0.481
DAR-DIA-0cde14eb-7
0.481
CHR-SOS-363cfb78-2
0.473
TRY-UNI-714a760b-12
0.472
JAG-UCB-cedd89ab-8
0.472
TRY-UNI-714a760b-24
0.467
DAR-DIA-0cde14eb-22
0.465
DAR-DIA-0cde14eb-75
0.463
DAR-DIA-0cde14eb-24
0.461
DAR-DIA-0cde14eb-23
0.460
DAR-DIA-0cde14eb-21
0.460
ALE-HEI-f28a35b5-2
0.451
DAR-DIA-0cde14eb-72
0.450
DAR-DIA-0cde14eb-73
0.450
DAR-DIA-0cde14eb-71
0.444
DAR-DIA-0cde14eb-74
0.439
ALE-HEI-f28a35b5-11
0.432
MAT-POS-590ac91e-15
0.432
ALE-HEI-f28a35b5-7
0.431
TRY-UNI-714a760b-11
0.431
NAU-LAT-3f5f3993-2
0.427
AAR-POS-d2a4d1df-3
0.426
MAK-UNK-6435e6c2-8
0.426
DAR-DIA-0cde14eb-64
0.425
MAK-UNK-129dcd6f-15
0.425
MAT-POS-590ac91e-12
0.425
DAR-DIA-0cde14eb-62
0.420
DAR-DIA-0cde14eb-63
0.420
MAT-POS-590ac91e-6
0.417
MAK-UNK-6ca90168-27
0.415
ALE-HEI-f28a35b5-13
0.414
BEN-DND-6de5dfa0-10
0.413
MAR-TRE-67513f76-79
0.412
ERI-UCB-5b47150d-1
0.412
ASH-SAT-43770c7d-9
0.412
MAT-POS-590ac91e-1
0.412
MAT-POS-590ac91e-2
0.412
MAT-POS-590ac91e-9
0.411
MAT-POS-5d20d11c-1
0.408
MAT-POS-590ac91e-16
0.408
CHR-SOS-6c45c019-12
0.407
CHR-SOS-1f323c23-10
0.405
CHR-SOS-6c45c019-16
0.405
TRY-UNI-1fd04853-2
0.402
MAT-POS-590ac91e-26
0.400
CHR-SOS-6c45c019-9
0.398
CHR-SOS-6c45c019-15
0.395
TRY-UNI-bbd40bb4-6
0.395
CHR-SOS-1f323c23-7
0.395
ALE-HEI-f28a35b5-12
0.394
MAT-POS-590ac91e-13
0.394
MAT-POS-590ac91e-5
0.392
CHR-SOS-1f323c23-4
0.390
WAR-XCH-e55cba98-9
0.390
MAK-UNK-129dcd6f-4
0.388
CHR-SOS-6c45c019-6
0.388
CHR-SOS-363cfb78-7
0.388
MAK-UNK-6ca90168-26
0.388
MAT-POS-590ac91e-22
0.387
CHR-SOS-6c45c019-14
0.386
CHR-SOS-6c45c019-11
0.386
MAT-POS-590ac91e-14
0.385
MAT-POS-590ac91e-27
0.385
SAM-UNK-2684b532-8
0.384
ALE-HEI-f28a35b5-17
0.384
SCO-VAN-260d9628-1
0.384
ALE-HEI-f28a35b5-10
0.382
MAT-POS-590ac91e-4
0.382
MAT-POS-590ac91e-24
0.382
CHR-SOS-1f323c23-1
0.381
ERI-UCB-5b47150d-4
0.380
SIM-DEM-2d7ee9fd-1
0.379
CHR-SOS-6c45c019-3
0.379
PET-SGC-6e7c5dc0-1
0.378
CHR-SOS-6c45c019-13
0.378
EDJ-MED-3c65e9ce-1
0.377
TRY-UNI-714a760b-16
0.377
BEN-DND-93268d01-8
0.377
MAT-POS-590ac91e-3
0.377
MAT-POS-590ac91e-21
0.377
CHR-SOS-6c45c019-10
0.376
DAR-DIA-0cde14eb-10
0.376
MAK-UNK-902cc841-15
0.376
CHR-SOS-6c45c019-8
0.376
BEN-DND-22e6b372-3
0.375
MAT-POS-590ac91e-25
0.375
MAT-POS-590ac91e-11
0.375
TRY-UNI-bbd40bb4-5
0.374