Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)NC1(Oc2ccccc2)CCCC1 |
MW: | 311.385 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 63.25 |
cLogP: | 3.86082 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_ketal
het-C-het not in ring
CHR-SOS-1f323c23-7
0.949
CHR-SOS-1f323c23-1
0.934
CHR-SOS-1f323c23-10
0.883
CHR-SOS-1f323c23-6
0.729
CHR-SOS-1f323c23-9
0.694
CHR-SOS-1f323c23-3
0.689
CHR-SOS-1f323c23-12
0.644
CHR-SOS-1f323c23-5
0.641
CHR-SOS-1f323c23-8
0.608
CHR-SOS-1f323c23-2
0.605
CHR-SOS-1f323c23-11
0.562
WAR-XCH-e55cba98-9
0.487
CHR-SOS-6c45c019-6
0.481
TRY-UNI-714a760b-4
0.478
ALE-HEI-f28a35b5-1
0.478
CHR-SOS-6c45c019-5
0.476
CHR-SOS-6c45c019-9
0.475
CHR-SOS-6c45c019-3
0.470
CHR-SOS-6c45c019-8
0.469
CHR-SOS-6c45c019-12
0.468
CHR-SOS-6c45c019-2
0.464
CHR-SOS-6c45c019-4
0.464
CHR-SOS-6c45c019-11
0.463
CHR-SOS-6c45c019-7
0.458
CHR-SOS-6c45c019-1
0.453
WAR-XCH-e55cba98-11
0.451
CHR-SOS-6c45c019-10
0.451
CHR-SOS-363cfb78-7
0.446
CHR-SOS-6c45c019-14
0.425
ALE-HEI-f28a35b5-13
0.423
AHN-SAT-202241f6-1
0.419
TRY-UNI-714a760b-17
0.419
TRY-UNI-714a760b-11
0.419
ALE-HEI-f28a35b5-7
0.419
CHR-SOS-6c45c019-15
0.419
CHR-SOS-6c45c019-13
0.416
BEN-DND-93268d01-14
0.416
ABI-SAT-4d06482b-1
0.413
AAR-POS-d2a4d1df-3
0.413
MAK-UNK-6435e6c2-8
0.413
CHR-SOS-6c45c019-16
0.412
TRY-UNI-714a760b-5
0.411
BEN-DND-93268d01-3
0.408
MAT-POS-590ac91e-6
0.405
BEN-DND-93268d01-2
0.405
DAR-DIA-0cde14eb-9
0.405
DAR-DIA-0cde14eb-5
0.402
DAR-DIA-0cde14eb-67
0.402
DAR-DIA-0cde14eb-66
0.402
MAT-POS-590ac91e-9
0.400
MAT-POS-590ac91e-2
0.400
ALE-HEI-f28a35b5-2
0.400
ERI-UCB-5b47150d-1
0.400
MAT-POS-590ac91e-1
0.400
DAR-DIA-0cde14eb-6
0.398
DAR-DIA-0cde14eb-8
0.398
MAK-UNK-129dcd6f-15
0.398
DAR-DIA-0cde14eb-7
0.398
MAK-UNK-6ca90168-26
0.397
BEN-DND-93268d01-11
0.395
MAT-POS-590ac91e-22
0.395
DAR-DIA-0cde14eb-65
0.390
DAR-DIA-0cde14eb-68
0.390
MAT-POS-590ac91e-24
0.390
BEN-DND-6de5dfa0-6
0.386
TRY-UNI-714a760b-12
0.385
ALE-HEI-f28a35b5-11
0.385
EDJ-MED-3c65e9ce-1
0.385
MAT-POS-590ac91e-15
0.385
JAG-UCB-cedd89ab-8
0.385
BEN-DND-93268d01-8
0.385
BEN-DND-6de5dfa0-2
0.384
BEN-DND-09b88bf4-1
0.384
BEN-DND-22e6b372-3
0.383
MAK-UNK-6ca90168-27
0.382
ALP-POS-90c18d1d-1
0.382
MAT-POS-590ac91e-5
0.382
ASH-SAT-43770c7d-9
0.380
NAU-LAT-3f5f3993-2
0.380
BEN-DND-93268d01-13
0.380
NAU-LAT-3f5f3993-1
0.379
MAT-POS-5d20d11c-1
0.378
MAT-POS-590ac91e-16
0.378
BEN-DND-09b88bf4-6
0.378
BEN-DND-6de5dfa0-7
0.378
BEN-DND-09b88bf4-5
0.377
BEN-DND-93268d01-9
0.377
DAR-DIA-0cde14eb-69
0.376
MAK-UNK-129dcd6f-17
0.376
SAM-UNK-2684b532-2
0.376
BEN-DND-22e6b372-4
0.375
SAM-UNK-2684b532-8
0.375
MAK-UNK-129dcd6f-18
0.375
RED-SAT-26a928c9-1
0.375
ANU-UNK-2781581f-1
0.375
BEN-DND-09b88bf4-7
0.374
BAR-COM-0f94fc3d-19
0.373
DAR-DIA-0cde14eb-72
0.372
BEN-DND-93268d01-10
0.372
MAT-POS-590ac91e-26
0.372