Molecular Properties | |
SMILES: | CN(C)Cc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12 |
MW: | 353.13 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 45.23 |
cLogP: | 4.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-df536be7-6
0.789
BEN-DND-d1eb1f41-4
0.743
ALP-POS-6479a3a9-2
0.718
ALP-POS-d7944b10-2
0.700
ALP-POS-d7944b10-7
0.687
RAL-THA-2d450e86-27
0.676
ALP-POS-d7944b10-15
0.667
ALP-POS-bb8a3193-6
0.659
ALP-POS-d7944b10-6
0.655
MAT-POS-bbbbc21a-1
0.654
RAL-THA-2d450e86-29
0.654
MAT-POS-3b92565d-1
0.654
PET-UNK-dd44aeb6-1
0.653
RAL-THA-2d450e86-24
0.653
PET-UNK-dd44aeb6-2
0.653
RAL-THA-2d450e86-25
0.653
ALP-POS-d7944b10-8
0.644
MIC-UNK-06e5f114-1
0.640
ALP-POS-d7944b10-17
0.640
ALP-POS-d7944b10-10
0.636
PET-UNK-dd44aeb6-3
0.633
RAL-THA-2d450e86-28
0.633
MIC-UNK-df9dcda8-2
0.627
ALP-POS-d7944b10-5
0.622
ALP-POS-d7944b10-12
0.621
MIC-UNK-df9dcda8-3
0.620
MIC-UNK-df9dcda8-4
0.617
ALP-POS-d7944b10-14
0.611
MIC-UNK-df9dcda8-1
0.610
ALP-POS-d7944b10-18
0.609
MIC-UNK-06e5f114-2
0.604
MIC-UNK-06e5f114-4
0.602
ALP-POS-d7944b10-13
0.598
ALP-POS-df536be7-5
0.598
RAL-THA-2d450e86-36
0.595
RAL-THA-2d450e86-30
0.587
ALP-POS-d054b76b-5
0.585
ALP-POS-d7944b10-1
0.581
ALP-POS-6479a3a9-3
0.581
ALP-POS-d7944b10-3
0.581
ALP-POS-6479a3a9-1
0.581
ALP-POS-d7944b10-4
0.579
MIC-UNK-06e5f114-3
0.577
RAL-THA-2d450e86-2
0.573
RAL-THA-2d450e86-33
0.571
ADA-UCB-6c2cb422-1
0.571
MAT-POS-fce787c2-2
0.566
RAL-THA-2d450e86-39
0.564
ALP-POS-d7944b10-16
0.562
RAL-THA-2d450e86-26
0.557
ALP-POS-d7944b10-9
0.556
MAK-UNK-919546f0-4
0.554
RAL-THA-2d450e86-37
0.553
RAL-THA-2d450e86-38
0.553
NAU-LAT-2fed8305-9
0.551
RAL-THA-2d450e86-20
0.550
MAT-POS-afd4d4fd-1
0.550
RAL-THA-2d450e86-22
0.549
RAL-THA-2d450e86-34
0.544
MAT-POS-afd4d4fd-3
0.544
MIC-UNK-37660950-2
0.543
EDJ-MED-50011917-3
0.543
PET-UNK-3c72d439-1
0.543
RAL-THA-2d450e86-6
0.543
RAL-THA-2d450e86-15
0.543
RAL-THA-2d450e86-18
0.542
ALP-POS-3b848b35-1
0.542
MAT-POS-3b92565d-2
0.542
NAU-LAT-2fed8305-5
0.537
PET-UNK-bb7ffe78-1
0.537
MIC-UNK-37660950-4
0.536
ALP-POS-d7944b10-11
0.535
MAT-POS-23a8a11a-1
0.532
RAL-THA-2d450e86-19
0.531
MIC-UNK-e8d6fb58-4
0.531
NAU-LAT-30527ac5-1
0.529
RAL-THA-1d44ff04-6
0.529
MIC-UNK-e7433122-1
0.526
MAT-POS-afd4d4fd-2
0.525
RAL-THA-2d450e86-40
0.525
VLA-UNK-b9c208fe-2
0.525
RAL-THA-2d450e86-14
0.524
RAL-THA-2d450e86-8
0.524
RAL-THA-2d450e86-9
0.524
RAL-THA-1d44ff04-3
0.523
MIC-UNK-37660950-1
0.521
RAL-THA-2d450e86-1
0.520
MIC-UNK-37660950-3
0.520
RAL-THA-2d450e86-3
0.519
RAL-THA-2d450e86-4
0.519
RAL-THA-2d450e86-23
0.519
VLA-UNK-9a7dc93f-1
0.518
MAK-UNK-c749d764-32
0.518
MIC-UNK-16ccb665-3
0.518
PET-UNK-bb7ffe78-3
0.518
MAT-POS-fce787c2-1
0.518
MAT-POS-bbbbc21a-3
0.517
NAU-LAT-2fed8305-6
0.512
RAL-THA-2d450e86-21
0.512
RAL-THA-1d44ff04-11
0.511