Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)N(c1cccc(Cl)c1)C1Cc2ccccc2C1 |
MW: | 413.13 |
Fraction sp3: | 0.12 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 45.23 |
cLogP: | 6.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-cdc2493e-7
0.805
MIC-UNK-cdc2493e-11
0.699
MIC-UNK-cdc2493e-17
0.690
MIC-UNK-cdc2493e-4
0.682
MIC-UNK-cdc2493e-12
0.682
MIC-UNK-cdc2493e-5
0.682
MIC-UNK-cdc2493e-20
0.674
MIC-UNK-cdc2493e-18
0.667
MIC-UNK-cdc2493e-9
0.659
MIC-UNK-cdc2493e-21
0.659
MIC-UNK-cdc2493e-10
0.652
MIC-UNK-cdc2493e-13
0.648
MIC-UNK-cdc2493e-14
0.634
MIC-UNK-cdc2493e-8
0.630
VLA-UCB-05e51b3f-14
0.548
EDJ-MED-c314995a-1
0.548
MIC-UNK-cdc2493e-1
0.543
MIC-UNK-bcd487e9-2
0.538
MIC-UNK-bcd487e9-3
0.533
PET-UNK-a17c93d1-1
0.526
VLA-UCB-34f3ed0c-6
0.521
FRA-DIA-13af2da5-1
0.516
MIC-UNK-bcd487e9-1
0.516
MIC-UNK-d36ab305-5
0.516
MIC-UNK-bcd487e9-4
0.510
MIC-UNK-bcd487e9-6
0.510
MIC-UNK-d36ab305-2
0.505
MIC-UNK-cdc2493e-2
0.500
MIC-UNK-cdc2493e-3
0.500
MIC-UNK-cdc2493e-15
0.500
MIC-UNK-cdc2493e-19
0.500
MIC-UNK-cdc2493e-23
0.500
MIC-UNK-bcd487e9-5
0.500
MIC-UNK-bcd487e9-8
0.500
MIC-UNK-bcd487e9-7
0.500
ADA-UCB-dc2b944c-18
0.495
VLA-UCB-34f3ed0c-13
0.490
MIC-UNK-bcd487e9-10
0.490
ADA-UCB-dc2b944c-6
0.485
VLA-UCB-34f3ed0c-7
0.485
MIC-UNK-cdc2493e-16
0.485
MIC-UNK-cdc2493e-24
0.485
VLA-UCB-34f3ed0c-5
0.480
MIC-UNK-bcd487e9-9
0.480
NAU-LAT-2fed8305-2
0.472
MIC-UNK-cdc2493e-22
0.470
RYA-UNI-14580791-1
0.470
NAU-LAT-2fed8305-1
0.466
ALP-POS-f13221e1-3
0.466
ADA-UCB-6c2cb422-1
0.465
NAU-LAT-2fed8305-7
0.462
MIC-UNK-5a93dd5f-8
0.455
ALP-POS-ddb41b15-6
0.455
EDJ-MED-e4b030d8-12
0.443
MAT-POS-8e4737f4-2
0.443
MAT-POS-fce787c2-2
0.442
MIC-UNK-5a93dd5f-6
0.441
ALP-POS-f13221e1-2
0.440
ADA-UCB-dc2b944c-3
0.437
ADA-UCB-dc2b944c-17
0.437
BEN-DND-d1eb1f41-6
0.436
EDJ-MED-cf4b0d25-4
0.436
VLA-UNK-9a7dc93f-7
0.435
MIC-UNK-d36ab305-4
0.434
ALF-EVA-650655fc-1
0.430
MIC-UNK-5a93dd5f-9
0.427
MIC-UNK-c66144cb-3
0.427
ALP-POS-3b848b35-4
0.427
VLA-UCB-1dbca3b4-16
0.424
BEN-DND-a7517465-4
0.424
EDJ-MED-e4b030d8-13
0.424
MAT-POS-8e4737f4-1
0.424
DAR-DIA-6a508060-10
0.424
MIC-UNK-644c43c7-3
0.424
PET-UNK-022eab87-1
0.423
PET-UNK-1320d94d-22
0.421
ADA-UCB-dc2b944c-2
0.421
PET-UNK-1320d94d-21
0.421
MAT-POS-1f3f1a6f-2
0.419
NIR-THE-590dedc7-1
0.418
MIC-UNK-6ab519a7-1
0.418
NAU-LAT-a5c7d7cb-2
0.418
MIC-UNK-5a93dd5f-10
0.418
RAL-THA-2d450e86-25
0.418
RAL-THA-2d450e86-24
0.418
PET-UNK-dd44aeb6-2
0.418
PET-UNK-dd44aeb6-1
0.418
RAL-THA-2d450e86-27
0.418
PET-UNK-8c422e11-1
0.417
MAT-POS-f7918075-2
0.417
EDJ-MED-12c115cc-1
0.417
EDJ-MED-12c115cc-2
0.417
MAT-POS-bbbbc21a-2
0.417
MIC-UNK-5a93dd5f-1
0.416
MIC-UNK-5a93dd5f-2
0.416
ALF-EVA-650655fc-2
0.414
MAT-POS-fb82b63d-1
0.414
DAR-DIA-0d514e7d-36
0.414
RAL-THA-05e671eb-3
0.414
RAL-THA-2d450e86-14
0.413