Molecular Properties | |
SMILES: | Cc1ccncc1C(C(=O)NCCc1cccc(F)c1)N(C(=O)c1nccn1C)c1ccc(C(C)(C)C)cc1 |
MW: | 527.27 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 80.12 |
cLogP: | 5.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-02c6a514-44
ALP-POS-d0876c20-1
0.735
ALP-POS-02c6a514-44
0.730
PAU-WEI-df8f33bc-2
0.730
ALF-EVA-719172df-2
0.716
ALF-EVA-719172df-5
0.702
ALF-EVA-719172df-3
0.692
DAR-DIA-48c639f7-9
0.690
DAR-DIA-48c639f7-10
0.683
DAR-DIA-48c639f7-11
0.657
DAR-DIA-48c639f7-15
0.657
DAR-DIA-48c639f7-16
0.654
DAR-DIA-48c639f7-12
0.639
DAR-DIA-48c639f7-18
0.639
DAR-DIA-48c639f7-14
0.614
ALF-EVA-46063d6e-4
0.607
DAR-DIA-48c639f7-13
0.603
ALF-EVA-719172df-4
0.591
ALF-EVA-46063d6e-1
0.591
ALF-EVA-46063d6e-3
0.591
ALF-EVA-46063d6e-6
0.580
ALF-EVA-46063d6e-2
0.579
ALP-POS-02c6a514-22
0.578
DAR-DIA-48c639f7-1
0.566
DAR-DIA-48c639f7-7
0.565
MIC-UNK-9ffaa625-1
0.565
DAR-DIA-48c639f7-5
0.564
ALP-POS-305f6ec3-46
0.564
DAR-DIA-48c639f7-2
0.561
ALF-EVA-46063d6e-7
0.560
ALP-POS-305f6ec3-55
0.559
DAR-DIA-48c639f7-8
0.557
DAR-DIA-48c639f7-6
0.556
ALF-EVA-719172df-7
0.554
ALP-POS-305f6ec3-56
0.554
MIC-UNK-9ffaa625-2
0.551
ALP-POS-305f6ec3-27
0.550
CHE-UNK-ae827f53-1
0.547
DAR-DIA-48c639f7-17
0.545
ALP-POS-02c6a514-50
0.545
DAR-DIA-48c639f7-4
0.542
ALP-POS-02c6a514-12
0.541
ALP-POS-305f6ec3-50
0.539
ALP-POS-d0876c20-11
0.539
LON-WEI-2e27a2e5-2
0.537
ALP-POS-02c6a514-26
0.536
ALP-POS-305f6ec3-44
0.536
ALP-POS-305f6ec3-12
0.534
ALP-POS-02c6a514-11
0.532
ALP-POS-95f71980-2
0.532
MAT-POS-f2460aef-3
0.531
ALP-POS-305f6ec3-48
0.531
ALP-POS-d0876c20-21
0.531
ALP-POS-02c6a514-49
0.531
ALP-POS-305f6ec3-57
0.530
MIC-UNK-96659df2-3
0.529
DAR-DIA-48c639f7-3
0.529
MIC-UNK-96659df2-2
0.528
ALP-POS-305f6ec3-59
0.527
ALP-POS-d0876c20-5
0.527
ALP-POS-02c6a514-52
0.527
ALP-POS-95f71980-23
0.526
ALP-POS-02c6a514-33
0.526
ALP-POS-305f6ec3-54
0.526
ALP-POS-02c6a514-13
0.526
LON-WEI-2e27a2e5-1
0.523
MAT-POS-f2460aef-2
0.523
MAT-POS-f2460aef-1
0.523
ALP-POS-95f71980-21
0.523
PET-UNK-48ab5cd7-2
0.522
PET-UNK-48ab5cd7-3
0.522
ALP-POS-d0876c20-19
0.521
ALP-POS-d0876c20-17
0.518
ALP-POS-95f71980-17
0.518
ALP-POS-305f6ec3-6
0.518
PET-UNK-48ab5cd7-1
0.518
ALP-POS-02c6a514-46
0.518
MIC-UNK-7c90192e-2
0.517
ALP-POS-95f71980-4
0.513
ALP-POS-305f6ec3-49
0.513
ALP-POS-95f71980-29
0.513
ALP-POS-305f6ec3-2
0.513
ALP-POS-02c6a514-40
0.513
ALP-POS-305f6ec3-19
0.513
ALP-POS-d0876c20-20
0.513
DAR-DIA-2b784ede-54
0.512
ALP-POS-d0876c20-18
0.512
PET-UNK-7d68125a-4
0.509
ALP-POS-305f6ec3-41
0.509
ALP-POS-d0876c20-14
0.509
ALP-POS-305f6ec3-3
0.509
ALP-POS-305f6ec3-38
0.509
ALP-POS-305f6ec3-52
0.509
ALP-POS-780445ae-3
0.508
ALP-POS-02c6a514-45
0.508
MIC-UNK-7c90192e-1
0.508
MIC-UNK-96659df2-4
0.508
PAU-WEI-5b8d5051-2
0.505
LON-WEI-adc59df6-47
0.505
PAU-WEI-5b8d5051-1
0.505
LON-POS-586a7c45-1
0.505