Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(CCc1cccc(Cl)c1)C(=O)c1ccco1 |
MW: | 505.16 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 10 |
TPSA: | 75.44 |
cLogP: | 5.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
KHR-WEI-75c61062-1
0.727
ALP-POS-b0bc6a46-2
0.681
ALP-POS-02c6a514-2
0.681
ALP-POS-b0bc6a46-1
0.642
ALP-POS-02c6a514-1
0.642
KHR-WEI-75c61062-2
0.641
RYA-UNI-f4a878f6-1
0.632
ALF-EVA-719172df-6
0.622
ALP-POS-02c6a514-8
0.615
ALP-POS-b0bc6a46-7
0.615
RYA-UNI-c3f66fb2-1
0.612
ALP-POS-b0bc6a46-20
0.607
ALP-POS-02c6a514-35
0.607
ALP-POS-b0bc6a46-29
0.602
ALP-POS-02c6a514-58
0.602
ALP-POS-02c6a514-38
0.600
ALP-POS-b0bc6a46-23
0.600
MIC-UNK-8686cf1d-2
0.598
MAT-POS-f2460aef-2
0.594
MAT-POS-f2460aef-1
0.594
LON-WEI-2e27a2e5-1
0.594
ALP-POS-b0bc6a46-10
0.593
ALP-POS-02c6a514-16
0.593
ALP-POS-02c6a514-37
0.588
ALP-POS-b0bc6a46-22
0.588
ALP-POS-b0bc6a46-12
0.587
ALP-POS-02c6a514-20
0.587
ALP-POS-02c6a514-15
0.585
ALP-POS-b0bc6a46-9
0.585
ALP-POS-b0bc6a46-24
0.583
ALP-POS-02c6a514-39
0.583
MIC-UNK-8686cf1d-3
0.578
MIC-UNK-8686cf1d-1
0.577
PET-UNK-48ab5cd7-4
0.571
ALP-POS-02c6a514-7
0.570
ALP-POS-b0bc6a46-6
0.570
ALP-POS-b0bc6a46-17
0.566
ALP-POS-02c6a514-28
0.566
ALP-POS-b0bc6a46-19
0.566
ALP-POS-02c6a514-30
0.566
PAU-WEI-ca14c437-1
0.566
PET-UNK-48ab5cd7-5
0.566
ALP-POS-02c6a514-4
0.560
ALP-POS-b0bc6a46-4
0.560
MIC-UNK-8686cf1d-6
0.559
ALP-POS-02c6a514-18
0.556
ALP-POS-b0bc6a46-11
0.556
PAU-WEI-d9f77348-1
0.556
PET-UNK-48ab5cd7-6
0.556
MIC-UNK-8686cf1d-7
0.554
MIC-UNK-8686cf1d-4
0.553
ALP-POS-02c6a514-14
0.551
ALP-POS-b0bc6a46-8
0.551
ALP-POS-b0bc6a46-21
0.550
ALP-POS-02c6a514-5
0.550
ALP-POS-b0bc6a46-5
0.550
ALP-POS-02c6a514-36
0.550
MIC-UNK-8686cf1d-5
0.548
ALP-POS-b0bc6a46-18
0.545
ALP-POS-02c6a514-29
0.545
ALP-POS-02c6a514-41
0.541
ALP-POS-b0bc6a46-25
0.541
ALP-POS-b0bc6a46-15
0.541
ALP-POS-02c6a514-24
0.541
ALP-POS-1245c3fa-2
0.537
ALP-POS-b0bc6a46-28
0.536
ALP-POS-02c6a514-47
0.536
MIC-UNK-8686cf1d-8
0.534
ALP-POS-b0bc6a46-3
0.526
ALP-POS-02c6a514-3
0.526
ALP-POS-e980f4ea-7
0.524
ALP-POS-ced8ea4d-7
0.524
MIC-UNK-96659df2-7
0.522
BRU-THA-92256091-11
0.519
ALP-POS-02c6a514-10
0.517
ALP-POS-b0bc6a46-13
0.517
ALP-POS-02c6a514-21
0.517
ALP-POS-02c6a514-42
0.513
ALP-POS-b0bc6a46-26
0.513
ALP-POS-e980f4ea-64
0.509
ALP-POS-ced8ea4d-64
0.509
ALP-POS-1245c3fa-1
0.509
ALP-POS-02c6a514-12
0.509
BRU-THA-92256091-7
0.505
ALP-POS-02c6a514-27
0.500
ALP-POS-b0bc6a46-16
0.500
LON-WEI-adc59df6-47
0.500
MAT-POS-f2460aef-4
0.500
ALP-POS-b0bc6a46-27
0.500
MIC-UNK-96659df2-8
0.500
LON-POS-586a7c45-1
0.500
PAU-WEI-5b8d5051-1
0.500
ALP-POS-02c6a514-43
0.500
MIC-UNK-96659df2-6
0.496
ALP-POS-95f71980-4
0.495
ALP-POS-305f6ec3-49
0.495
LON-WEI-babf2c61-9
0.495
ALP-POS-305f6ec3-41
0.491
ALP-POS-95f71980-21
0.491
LON-WEI-2e27a2e5-2
0.491