Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)NC1(Oc2ccccc2)CC1 |
MW: | 283.331 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 63.25 |
cLogP: | 3.08062 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_ketal
het-C-het not in ring
CHR-SOS-1f323c23-7
0.898
CHR-SOS-1f323c23-4
0.883
CHR-SOS-1f323c23-1
0.855
CHR-SOS-1f323c23-12
0.721
CHR-SOS-1f323c23-9
0.653
CHR-SOS-1f323c23-6
0.639
CHR-SOS-1f323c23-3
0.627
CHR-SOS-1f323c23-11
0.627
CHR-SOS-1f323c23-8
0.570
CHR-SOS-1f323c23-5
0.562
CHR-SOS-1f323c23-2
0.549
TRY-UNI-714a760b-4
0.500
ALE-HEI-f28a35b5-1
0.500
CHR-SOS-6c45c019-12
0.487
CHR-SOS-6c45c019-11
0.481
CHR-SOS-6c45c019-9
0.474
CHR-SOS-6c45c019-10
0.468
CHR-SOS-6c45c019-8
0.468
WAR-XCH-e55cba98-9
0.468
CHR-SOS-6c45c019-6
0.463
CHR-SOS-363cfb78-7
0.463
CHR-SOS-6c45c019-5
0.457
CHR-SOS-6c45c019-7
0.457
CHR-SOS-6c45c019-3
0.451
CHR-SOS-6c45c019-2
0.446
CHR-SOS-6c45c019-4
0.446
ALE-HEI-f28a35b5-13
0.441
TRY-UNI-714a760b-17
0.437
AHN-SAT-202241f6-1
0.437
CHR-SOS-6c45c019-1
0.435
AAR-POS-d2a4d1df-3
0.433
MAK-UNK-6435e6c2-8
0.433
WAR-XCH-e55cba98-11
0.432
ABI-SAT-4d06482b-1
0.431
TRY-UNI-714a760b-5
0.429
CHR-SOS-6c45c019-16
0.427
BEN-DND-93268d01-3
0.425
MAT-POS-590ac91e-6
0.423
BEN-DND-93268d01-2
0.421
DAR-DIA-0cde14eb-9
0.420
MAT-POS-590ac91e-1
0.418
ERI-UCB-5b47150d-1
0.418
MAT-POS-590ac91e-2
0.418
DAR-DIA-0cde14eb-5
0.418
ALE-HEI-f28a35b5-7
0.417
CHR-SOS-6c45c019-15
0.417
MAT-POS-590ac91e-9
0.417
ALE-HEI-f28a35b5-2
0.417
TRY-UNI-714a760b-11
0.417
MAK-UNK-6ca90168-26
0.415
BEN-DND-93268d01-14
0.413
DAR-DIA-0cde14eb-7
0.412
DAR-DIA-0cde14eb-6
0.412
DAR-DIA-0cde14eb-8
0.412
MAK-UNK-129dcd6f-15
0.412
NAU-LAT-3f5f3993-1
0.410
SAM-UNK-2684b532-2
0.407
CHR-SOS-6c45c019-14
0.407
ERI-UCB-5b47150d-4
0.406
MAT-POS-590ac91e-24
0.405
DAR-DIA-0cde14eb-68
0.405
DAR-DIA-0cde14eb-65
0.405
DAR-DIA-0cde14eb-66
0.400
TRY-UNI-714a760b-12
0.400
MAK-UNK-6ca90168-27
0.400
DAR-DIA-0cde14eb-67
0.400
JAG-UCB-cedd89ab-8
0.400
ALE-HEI-f28a35b5-11
0.400
CHR-SOS-6c45c019-13
0.398
ASH-SAT-43770c7d-9
0.397
BEN-DND-93268d01-13
0.395
NAU-LAT-3f5f3993-2
0.395
MAT-POS-5d20d11c-1
0.394
MAT-POS-590ac91e-16
0.394
MAT-POS-590ac91e-22
0.392
DAR-DIA-0cde14eb-69
0.390
MAK-UNK-129dcd6f-17
0.390
EDG-MED-0da5ad92-19
0.390
SAM-UNK-2684b532-8
0.388
MAK-UNK-129dcd6f-18
0.388
BAR-COM-0f94fc3d-19
0.388
MAT-POS-590ac91e-26
0.387
EDJ-MED-3c65e9ce-1
0.382
MAT-POS-590ac91e-3
0.382
MAT-POS-590ac91e-15
0.382
JOH-UNI-abfda500-6
0.382
ANN-UNI-98d2bf15-1
0.382
BEN-DND-93268d01-8
0.382
MAT-POS-590ac91e-21
0.382
BEN-DND-09b88bf4-1
0.381
BEN-DND-6de5dfa0-2
0.381
MAT-POS-590ac91e-13
0.380
ALE-HEI-f28a35b5-12
0.380
TRY-UNI-714a760b-24
0.380
BEN-DND-93268d01-7
0.380
SAM-UNK-2684b532-10
0.379
ALP-POS-90c18d1d-1
0.379
MAT-POS-590ac91e-5
0.378
DAN-RED-da448e80-1
0.378
PED-UNI-8d53fd73-1
0.378