Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)NC1(Oc2ccccc2)CCC1 |
MW: | 297.358 |
Fraction sp3: | 0.29 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 63.25 |
cLogP: | 3.47072 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_ketal
het-C-het not in ring
CHR-SOS-1f323c23-4
0.949
CHR-SOS-1f323c23-1
0.918
CHR-SOS-1f323c23-10
0.898
CHR-SOS-1f323c23-9
0.729
CHR-SOS-1f323c23-6
0.690
CHR-SOS-1f323c23-3
0.676
CHR-SOS-1f323c23-12
0.653
CHR-SOS-1f323c23-8
0.636
CHR-SOS-1f323c23-5
0.608
CHR-SOS-1f323c23-2
0.593
CHR-SOS-1f323c23-11
0.570
CHR-SOS-6c45c019-9
0.500
CHR-SOS-6c45c019-8
0.494
TRY-UNI-714a760b-4
0.485
ALE-HEI-f28a35b5-1
0.485
CHR-SOS-6c45c019-7
0.481
CHR-SOS-6c45c019-12
0.474
WAR-XCH-e55cba98-9
0.474
CHR-SOS-6c45c019-6
0.469
CHR-SOS-6c45c019-11
0.468
CHR-SOS-6c45c019-5
0.463
CHR-SOS-6c45c019-3
0.458
CHR-SOS-6c45c019-10
0.457
CHR-SOS-6c45c019-4
0.452
CHR-SOS-6c45c019-2
0.452
CHR-SOS-363cfb78-7
0.451
CHR-SOS-6c45c019-1
0.442
CHR-SOS-6c45c019-15
0.440
WAR-XCH-e55cba98-11
0.439
ALE-HEI-f28a35b5-13
0.429
TRY-UNI-714a760b-17
0.425
AHN-SAT-202241f6-1
0.425
TRY-UNI-714a760b-11
0.425
ALE-HEI-f28a35b5-7
0.425
BEN-DND-93268d01-14
0.421
MAK-UNK-6435e6c2-8
0.419
AAR-POS-d2a4d1df-3
0.419
ABI-SAT-4d06482b-1
0.419
MAT-POS-590ac91e-22
0.419
TRY-UNI-714a760b-5
0.417
CHR-SOS-6c45c019-16
0.417
CHR-SOS-6c45c019-14
0.414
MAT-POS-590ac91e-24
0.413
BEN-DND-93268d01-3
0.413
MAT-POS-590ac91e-6
0.411
BEN-DND-93268d01-2
0.410
DAR-DIA-0cde14eb-9
0.410
MAT-POS-590ac91e-15
0.408
DAR-DIA-0cde14eb-5
0.407
DAR-DIA-0cde14eb-66
0.407
DAR-DIA-0cde14eb-67
0.407
MAT-POS-590ac91e-1
0.406
ERI-UCB-5b47150d-1
0.406
MAT-POS-590ac91e-2
0.406
ALE-HEI-f28a35b5-2
0.405
MAT-POS-590ac91e-9
0.405
CHR-SOS-6c45c019-13
0.404
MAK-UNK-6ca90168-26
0.403
DAR-DIA-0cde14eb-7
0.402
DAR-DIA-0cde14eb-6
0.402
DAR-DIA-0cde14eb-8
0.402
MAK-UNK-129dcd6f-15
0.402
BEN-DND-93268d01-11
0.400
DAR-DIA-0cde14eb-65
0.395
DAR-DIA-0cde14eb-68
0.395
BEN-DND-6de5dfa0-6
0.390
TRY-UNI-714a760b-12
0.390
BEN-DND-93268d01-8
0.390
ALE-HEI-f28a35b5-11
0.390
JAG-UCB-cedd89ab-8
0.390
EDJ-MED-3c65e9ce-1
0.390
BEN-DND-6de5dfa0-2
0.388
BEN-DND-09b88bf4-1
0.388
MAK-UNK-6ca90168-27
0.388
BEN-DND-22e6b372-3
0.388
MAT-POS-590ac91e-5
0.387
ASH-SAT-43770c7d-9
0.386
NAU-LAT-3f5f3993-2
0.385
BEN-DND-93268d01-13
0.385
NAU-LAT-3f5f3993-1
0.384
MAT-POS-5d20d11c-1
0.384
MAT-POS-590ac91e-16
0.384
BEN-DND-09b88bf4-6
0.383
BEN-DND-6de5dfa0-7
0.383
EDG-MED-0da5ad92-4
0.382
ALE-HEI-f28a35b5-6
0.382
TRY-UNI-714a760b-10
0.382
BEN-DND-09b88bf4-5
0.382
BEN-DND-93268d01-9
0.382
SAM-UNK-2684b532-2
0.381
DAR-DIA-0cde14eb-69
0.381
MAK-UNK-129dcd6f-17
0.381
BEN-DND-22e6b372-4
0.380
SAM-UNK-2684b532-8
0.379
MAK-UNK-129dcd6f-18
0.379
RED-SAT-26a928c9-1
0.379
ANU-UNK-2781581f-1
0.379
BAR-COM-0f94fc3d-19
0.378
BEN-DND-09b88bf4-7
0.378
MAT-POS-590ac91e-26
0.377