Molecular Properties | |
SMILES: | Cc1ccncc1C(C(=O)NCCc1cccc(F)c1)N(C(=O)c1ncc[nH]1)c1ccc(C(C)(C)C)cc1 |
MW: | 513.25 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 90.98 |
cLogP: | 5.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-02c6a514-44
ALP-POS-02c6a514-46
0.737
ALF-EVA-719172df-2
0.723
PAU-WEI-df8f33bc-2
0.720
ALP-POS-02c6a514-44
0.720
DAR-DIA-48c639f7-9
0.714
ALP-POS-d0876c20-1
0.709
DAR-DIA-48c639f7-10
0.707
ALF-EVA-719172df-1
0.702
ALF-EVA-719172df-3
0.699
DAR-DIA-48c639f7-15
0.680
DAR-DIA-48c639f7-11
0.680
DAR-DIA-48c639f7-16
0.676
DAR-DIA-48c639f7-12
0.645
DAR-DIA-48c639f7-18
0.645
DAR-DIA-48c639f7-14
0.605
ALF-EVA-46063d6e-4
0.598
ALF-EVA-46063d6e-1
0.596
DAR-DIA-48c639f7-13
0.595
ALF-EVA-719172df-4
0.582
ALF-EVA-46063d6e-3
0.582
ALF-EVA-46063d6e-6
0.571
ALF-EVA-46063d6e-2
0.570
ALP-POS-95f71980-22
0.564
DAR-DIA-48c639f7-6
0.560
ALF-EVA-719172df-7
0.559
DAR-DIA-48c639f7-1
0.558
MIC-UNK-9ffaa625-1
0.557
DAR-DIA-48c639f7-7
0.557
DAR-DIA-48c639f7-2
0.553
ALF-EVA-46063d6e-7
0.550
ALP-POS-305f6ec3-6
0.550
DAR-DIA-48c639f7-17
0.550
DAR-DIA-48c639f7-8
0.548
ALP-POS-02c6a514-52
0.545
MIC-UNK-9ffaa625-2
0.542
DAR-DIA-48c639f7-5
0.542
LON-WEI-2e27a2e5-2
0.542
ALP-POS-02c6a514-26
0.541
ALP-POS-305f6ec3-44
0.541
PET-UNK-48ab5cd7-2
0.541
ALP-POS-02c6a514-22
0.541
ALP-POS-305f6ec3-52
0.540
ALP-POS-780445ae-3
0.538
CHE-UNK-ae827f53-1
0.538
ALP-POS-02c6a514-11
0.537
ALP-POS-95f71980-2
0.536
ALP-POS-95f71980-17
0.536
MAT-POS-f2460aef-3
0.536
ALP-POS-02c6a514-49
0.536
PET-UNK-48ab5cd7-1
0.536
ALP-POS-305f6ec3-57
0.535
ALP-POS-305f6ec3-33
0.535
MIC-UNK-96659df2-3
0.534
DAR-DIA-48c639f7-4
0.534
ALP-POS-02c6a514-12
0.532
ALP-POS-305f6ec3-59
0.532
ALP-POS-305f6ec3-2
0.531
ALP-POS-95f71980-23
0.531
LON-WEI-2e27a2e5-1
0.527
MAT-POS-f2460aef-2
0.527
MAT-POS-f2460aef-1
0.527
ALP-POS-95f71980-21
0.527
PET-UNK-48ab5cd7-3
0.527
ALP-POS-305f6ec3-46
0.527
ALP-POS-305f6ec3-27
0.527
PAU-WEI-5b8d5051-2
0.523
ALP-POS-d0876c20-17
0.523
ALP-POS-02c6a514-50
0.522
MAT-POS-f2460aef-5
0.522
ALP-POS-305f6ec3-55
0.522
ALP-POS-305f6ec3-14
0.522
ALP-POS-d0876c20-9
0.521
DAR-DIA-48c639f7-3
0.521
MIC-UNK-96659df2-2
0.520
ALP-POS-95f71980-4
0.518
ALP-POS-305f6ec3-49
0.518
ALP-POS-02c6a514-33
0.518
ALP-POS-305f6ec3-56
0.518
ALP-POS-305f6ec3-20
0.517
ALP-POS-02c6a514-13
0.517
DAR-DIA-2b784ede-54
0.517
PET-UNK-7d68125a-4
0.514
ALP-POS-305f6ec3-41
0.513
ALP-POS-305f6ec3-3
0.513
ALP-POS-305f6ec3-38
0.513
ALP-POS-305f6ec3-39
0.513
ALP-POS-305f6ec3-35
0.513
ALP-POS-d0876c20-7
0.513
ALP-POS-d0876c20-19
0.513
MIC-UNK-96659df2-4
0.512
LON-WEI-adc59df6-47
0.509
PAU-WEI-5b8d5051-1
0.509
LON-POS-586a7c45-1
0.509
PET-UNK-7d68125a-2
0.509
ALP-POS-95f71980-24
0.509
ALP-POS-95f71980-25
0.509
ALP-POS-02c6a514-6
0.509
ALP-POS-02c6a514-25
0.509
MAT-POS-f2460aef-4
0.509
ALP-POS-305f6ec3-48
0.509