Molecular Properties | |
SMILES: | Cc1ccncc1C(C(=O)NCCc1cccc(F)c1)N(C(=O)c1ccco1)c1ccc(-c2cnc(Cl)s2)cc1 |
MW: | 574.12 |
Fraction sp3: | 0.13 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 88.33 |
cLogP: | 6.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
α-Halogen substituted N-heterocycles
Long aliphatic chain
MAT-POS-f2460aef-1
DAR-DIA-48c639f7-4
0.840
DAR-DIA-48c639f7-8
0.828
DAR-DIA-48c639f7-2
0.818
DAR-DIA-48c639f7-6
0.786
DAR-DIA-48c639f7-5
0.779
DAR-DIA-48c639f7-1
0.772
PAU-WEI-df8f33bc-2
0.750
ALP-POS-02c6a514-44
0.750
DAR-DIA-48c639f7-3
0.748
DAR-DIA-48c639f7-17
0.733
ALF-EVA-46063d6e-1
0.718
ALF-EVA-46063d6e-6
0.627
ALF-EVA-46063d6e-4
0.626
ALF-EVA-46063d6e-3
0.609
ALF-EVA-46063d6e-2
0.598
ALF-EVA-719172df-7
0.586
ALP-POS-d0876c20-1
0.584
MIC-UNK-9ffaa625-1
0.583
ALF-EVA-46063d6e-7
0.578
ALF-EVA-719172df-3
0.575
MIC-UNK-96659df2-3
0.573
MIC-UNK-9ffaa625-2
0.568
ALF-EVA-719172df-2
0.566
ALF-EVA-719172df-1
0.565
ALF-EVA-719172df-6
0.565
CHE-UNK-ae827f53-1
0.564
MIC-UNK-96659df2-2
0.557
ALF-EVA-719172df-5
0.557
MIC-UNK-96659df2-4
0.549
ALP-POS-02c6a514-38
0.545
ALP-POS-b0bc6a46-23
0.545
ALP-POS-02c6a514-13
0.543
MAT-POS-f2460aef-1
0.541
DAR-DIA-48c639f7-9
0.541
LON-WEI-2e27a2e5-1
0.541
MAT-POS-f2460aef-2
0.541
MIC-UNK-96659df2-1
0.536
ALP-POS-b0bc6a46-22
0.536
ALP-POS-02c6a514-37
0.536
DAR-DIA-48c639f7-10
0.536
MIC-UNK-7c90192e-2
0.533
ALP-POS-02c6a514-39
0.531
ALP-POS-b0bc6a46-24
0.531
DAR-DIA-48c639f7-11
0.530
DAR-DIA-48c639f7-15
0.530
PAU-WEI-df8f33bc-1
0.529
ALP-POS-02c6a514-32
0.529
MIC-UNK-7c90192e-1
0.525
ALP-POS-b0bc6a46-12
0.522
ALP-POS-02c6a514-20
0.522
PET-UNK-48ab5cd7-5
0.517
DAR-DIA-48c639f7-16
0.517
MAT-POS-02ae579f-1
0.509
PET-UNK-48ab5cd7-6
0.508
MIC-UNK-8686cf1d-2
0.508
ALP-POS-02c6a514-19
0.504
ALP-POS-b0bc6a46-5
0.504
ALP-POS-02c6a514-5
0.504
DAR-DIA-48c639f7-12
0.504
DAR-DIA-48c639f7-18
0.504
ALP-POS-02c6a514-29
0.500
ALP-POS-b0bc6a46-18
0.500
ALP-POS-b0bc6a46-11
0.496
ALP-POS-02c6a514-18
0.496
PAU-WEI-ca14c437-1
0.492
MIC-UNK-8686cf1d-6
0.488
RYA-UNI-c3f66fb2-1
0.487
ALP-POS-02c6a514-27
0.485
ALP-POS-b0bc6a46-16
0.485
PAU-WEI-d9f77348-1
0.483
ALP-POS-b0bc6a46-6
0.483
ALP-POS-02c6a514-7
0.483
MAT-POS-c0143b99-1
0.483
DAR-DIA-2b784ede-54
0.480
ALP-POS-02c6a514-9
0.479
ROB-UNI-269bf23d-1
0.478
DAR-DIA-48c639f7-14
0.476
ALF-EVA-719172df-4
0.475
KHR-WEI-75c61062-1
0.473
ALP-POS-a2344586-1
0.472
DAR-DIA-48c639f7-13
0.469
ALP-POS-02c6a514-21
0.465
ALP-POS-b0bc6a46-13
0.465
ALP-POS-02c6a514-34
0.464
ALP-POS-780445ae-3
0.464
KHR-WEI-75c61062-2
0.464
ALP-POS-ced8ea4d-27
0.462
ALP-POS-b0bc6a46-3
0.460
ALP-POS-02c6a514-3
0.460
RYA-UNI-f4a878f6-1
0.460
ALP-POS-02c6a514-41
0.459
ALP-POS-b0bc6a46-25
0.459
PET-UNK-48ab5cd7-4
0.458
MIC-UNK-8686cf1d-9
0.458
ALP-POS-02c6a514-48
0.455
ALP-POS-02c6a514-2
0.448
ALP-POS-b0bc6a46-2
0.448
MIC-UNK-8686cf1d-5
0.446
ALP-POS-b0bc6a46-21
0.444
ALP-POS-02c6a514-36
0.444