Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cc3c([nH]c2=O)CCOC3)cc1 |
MW: | 572.24 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 117.53 |
cLogP: | 4.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-d0876c20-9
0.684
ALP-POS-d0876c20-7
0.647
ALP-POS-a2344586-2
0.628
ALP-POS-d9b6304e-1
0.628
ALP-POS-d0876c20-11
0.624
ALP-POS-d0876c20-1
0.610
ALP-POS-d0876c20-20
0.608
ALP-POS-d0876c20-17
0.605
ALP-POS-d0876c20-19
0.603
ALP-POS-d0876c20-2
0.600
ALP-POS-d0876c20-5
0.600
ALP-POS-d0876c20-14
0.595
ALP-POS-d0876c20-10
0.585
ALP-POS-d0876c20-18
0.581
ALP-POS-d0876c20-12
0.577
ALP-POS-02c6a514-50
0.576
ALP-POS-d0876c20-21
0.576
ALP-POS-d0876c20-16
0.575
ALP-POS-d0876c20-3
0.570
ALP-POS-d0876c20-15
0.566
ALP-POS-d0876c20-24
0.565
ALP-POS-d0876c20-23
0.556
ALP-POS-d0876c20-6
0.545
ALP-POS-d0876c20-13
0.540
ALP-UNI-fe744232-18
0.528
ALP-POS-d0876c20-4
0.527
ALP-POS-d0876c20-22
0.526
ALP-POS-ced8ea4d-27
0.504
ALP-POS-95f71980-36
0.504
ALP-POS-ced8ea4d-53
0.504
ALP-POS-ced8ea4d-47
0.496
ALP-POS-a2344586-3
0.496
ALP-POS-95f71980-10
0.489
ALP-POS-ced8ea4d-11
0.484
ALP-UNI-fe744232-9
0.481
ALP-POS-ced8ea4d-19
0.480
ALP-POS-95f71980-37
0.477
ALP-POS-ced8ea4d-62
0.477
ALP-POS-ced8ea4d-67
0.477
ALP-POS-95f71980-34
0.474
ALP-UNI-fe744232-22
0.473
ALP-POS-ced8ea4d-5
0.473
ALP-POS-ced8ea4d-9
0.472
ALP-POS-ced8ea4d-17
0.470
ALP-POS-ced8ea4d-16
0.470
ALF-EVA-719172df-2
0.469
ALP-UNI-fe744232-3
0.465
ALP-POS-95f71980-25
0.465
ALP-POS-ced8ea4d-28
0.464
ALP-POS-ced8ea4d-32
0.464
ALP-POS-95f71980-28
0.463
ALP-POS-95f71980-27
0.463
ALP-POS-95f71980-35
0.463
ALP-UNI-fe744232-11
0.463
ALP-UNI-fe744232-15
0.462
ALP-POS-ced8ea4d-49
0.462
ALP-POS-ced8ea4d-52
0.462
ALP-UNI-fe744232-14
0.462
ALF-EVA-719172df-7
0.461
ALP-POS-95f71980-19
0.460
ALP-POS-95f71980-38
0.460
ALP-UNI-fe744232-1
0.459
ALP-UNI-fe744232-17
0.459
ALP-POS-ced8ea4d-51
0.458
ALP-POS-ced8ea4d-12
0.458
ALF-EVA-46063d6e-2
0.456
ALP-UNI-fe744232-25
0.456
ALP-POS-305f6ec3-45
0.455
ALP-UNI-fe744232-12
0.455
ALP-POS-a2344586-1
0.455
ALP-POS-ced8ea4d-37
0.454
ALP-POS-95f71980-15
0.453
MAT-POS-f2460aef-3
0.453
ALP-UNI-fe744232-30
0.451
ALP-POS-ced8ea4d-39
0.450
ALP-POS-ced8ea4d-1
0.450
ALP-POS-95f71980-4
0.449
ALP-UNI-fe744232-19
0.449
ALP-POS-02c6a514-34
0.448
ALP-POS-95f71980-3
0.448
ALP-POS-ced8ea4d-63
0.447
ALP-POS-305f6ec3-12
0.447
ALF-EVA-719172df-1
0.447
ALF-EVA-719172df-4
0.446
ALP-POS-95f71980-31
0.444
ALP-POS-305f6ec3-57
0.443
ALP-POS-305f6ec3-33
0.443
ALF-EVA-719172df-3
0.443
ALP-UNI-fe744232-13
0.442
ALP-POS-02c6a514-44
0.442
MAT-POS-f2460aef-5
0.442
PAU-WEI-df8f33bc-2
0.442
ALP-POS-95f71980-17
0.441
ALP-POS-ced8ea4d-25
0.440
ALP-POS-305f6ec3-50
0.439
ALP-POS-305f6ec3-54
0.439
ALP-POS-02c6a514-13
0.439
ALP-POS-305f6ec3-20
0.439
ALF-EVA-719172df-5
0.439
MAT-POS-02ae579f-1
0.439