Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)NC2CCC2)c2cccnc2)cc1 |
MW: | 432.22 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 88.33 |
cLogP: | 4.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-88a7a97e-28
0.948
ALP-POS-88a7a97e-12
0.934
ALP-POS-88a7a97e-9
0.855
ALP-POS-88a7a97e-34
0.840
ALP-POS-88a7a97e-30
0.802
ALP-POS-88a7a97e-39
0.800
ALP-POS-88a7a97e-15
0.773
ALP-POS-88a7a97e-1
0.762
ALP-POS-88a7a97e-7
0.756
ALP-POS-88a7a97e-14
0.753
ALP-POS-88a7a97e-6
0.750
ALP-POS-88a7a97e-43
0.747
ALP-POS-88a7a97e-18
0.744
ALP-POS-88a7a97e-35
0.735
ALP-POS-88a7a97e-26
0.714
ALP-POS-88a7a97e-31
0.713
ALP-POS-88a7a97e-25
0.711
ALP-POS-88a7a97e-10
0.709
ALP-POS-88a7a97e-33
0.709
ALP-POS-88a7a97e-22
0.709
ALP-POS-88a7a97e-2
0.709
ALP-POS-88a7a97e-27
0.707
ALP-POS-88a7a97e-16
0.701
BRU-THA-40a53a3c-1
0.689
ALP-POS-88a7a97e-3
0.685
ALP-POS-88a7a97e-29
0.685
ALP-POS-88a7a97e-38
0.685
ALP-POS-88a7a97e-46
0.685
ALP-POS-88a7a97e-4
0.685
ALP-POS-88a7a97e-32
0.685
ALP-POS-88a7a97e-11
0.685
ALP-POS-88a7a97e-5
0.678
ALP-POS-88a7a97e-41
0.677
ALP-POS-88a7a97e-8
0.670
ALP-POS-88a7a97e-36
0.670
ALP-POS-88a7a97e-24
0.667
ALP-POS-88a7a97e-37
0.667
ALP-POS-88a7a97e-23
0.667
ALP-POS-88a7a97e-40
0.667
ALP-POS-88a7a97e-19
0.663
ALP-POS-88a7a97e-17
0.663
ALP-POS-88a7a97e-13
0.656
ALP-POS-88a7a97e-48
0.649
ALP-POS-88a7a97e-47
0.646
ALP-POS-42f3de95-2
0.642
LON-WEI-adc59df6-14
0.640
ALP-POS-88a7a97e-21
0.635
ALP-POS-42f3de95-1
0.635
ALP-POS-88a7a97e-42
0.635
ALP-POS-02c6a514-50
0.629
ALP-POS-88a7a97e-44
0.616
LON-WEI-adc59df6-35
0.607
ALP-POS-88a7a97e-49
0.598
LON-WEI-adc59df6-8
0.593
LON-WEI-adc59df6-44
0.580
ALP-POS-88a7a97e-20
0.570
ALP-POS-42f3de95-3
0.562
ALP-UNI-fe744232-18
0.553
LON-WEI-adc59df6-39
0.547
ALP-POS-95f71980-36
0.538
ALP-UNI-fe744232-13
0.527
ALP-POS-ced8ea4d-17
0.523
ALP-POS-ced8ea4d-27
0.510
ALP-UNI-fe744232-10
0.510
ALP-UNI-fe744232-16
0.505
ALP-UNI-fe744232-24
0.505
ALP-UNI-fe744232-21
0.505
ALP-POS-ced8ea4d-62
0.505
ALP-UNI-fe744232-11
0.500
ALP-UNI-fe744232-5
0.500
RAL-MED-9a5eb9cb-15
0.500
ALP-POS-ced8ea4d-9
0.500
ALP-POS-d0876c20-5
0.500
ALP-POS-95f71980-38
0.496
ALP-UNI-fe744232-17
0.495
ALP-POS-ced8ea4d-16
0.495
ALP-UNI-fe744232-9
0.495
ALP-POS-ced8ea4d-63
0.495
ALP-POS-ced8ea4d-19
0.495
ALP-UNI-fe744232-27
0.495
ALP-UNI-fe744232-6
0.495
ALP-UNI-fe744232-7
0.495
ALP-POS-95f71980-10
0.491
ALP-UNI-fe744232-28
0.491
ALP-UNI-fe744232-20
0.491
ALP-UNI-fe744232-3
0.491
ALP-UNI-fe744232-4
0.491
ALP-UNI-fe744232-8
0.491
ALP-UNI-fe744232-29
0.491
ALP-POS-ced8ea4d-67
0.491
ALP-POS-d0876c20-17
0.490
ALP-POS-ced8ea4d-28
0.490
LON-WEI-adc59df6-19
0.490
ALP-POS-84f19ead-2
0.490
NIM-NMI-8bb27a2b-15
0.490
LON-WEI-adc59df6-30
0.489
ALP-POS-ced8ea4d-32
0.487
ALP-POS-95f71980-34
0.487
ALP-UNI-fe744232-15
0.486
ALP-UNI-fe744232-22
0.486