Molecular Properties | |
SMILES: | CC(=O)c1ccc(N(C(=O)C2CCCO2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 489.21 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 88.6 |
cLogP: | 4.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketone
Long aliphatic chain
ALP-POS-02c6a514-17
0.823
ALP-POS-780445ae-9
0.693
ALP-POS-02c6a514-38
0.677
ALP-POS-b0bc6a46-23
0.677
ALP-POS-02c6a514-51
0.591
ALP-POS-b0bc6a46-5
0.577
ALP-POS-02c6a514-5
0.577
PAU-WEI-5b8d5051-2
0.557
ALF-EVA-719172df-6
0.557
ALP-POS-02c6a514-37
0.556
ALP-POS-b0bc6a46-22
0.556
LON-WEI-2e27a2e5-2
0.547
MAT-POS-f2460aef-2
0.546
MAT-POS-f2460aef-1
0.546
LON-WEI-2e27a2e5-1
0.546
ALP-POS-02c6a514-11
0.542
ALP-POS-e980f4ea-32
0.542
ALP-POS-02c6a514-25
0.541
ALP-POS-b0bc6a46-24
0.536
ALP-POS-95f71980-4
0.536
ALP-POS-02c6a514-39
0.536
PET-UNK-48ab5cd7-5
0.536
ALP-POS-02c6a514-33
0.536
ALP-POS-e980f4ea-62
0.535
BRU-THA-92256091-84
0.533
ALP-POS-ced8ea4d-32
0.533
PET-UNK-7d68125a-4
0.532
ALP-POS-95f71980-21
0.532
ALP-POS-02c6a514-26
0.532
ALP-UNI-fe744232-9
0.530
LON-WEI-adc59df6-47
0.528
PAU-WEI-5b8d5051-1
0.528
ALP-POS-e980f4ea-28
0.528
LON-POS-586a7c45-1
0.528
ALP-POS-ced8ea4d-28
0.527
ALP-POS-305f6ec3-55
0.527
ALP-POS-02c6a514-6
0.527
ALP-POS-ced8ea4d-62
0.526
BRU-THA-92256091-80
0.526
LON-WEI-babf2c61-9
0.523
ALP-POS-305f6ec3-49
0.523
ALP-POS-02c6a514-12
0.523
ALP-POS-95f71980-6
0.522
WIL-UNI-354943b6-3
0.522
ALP-UNI-fe744232-15
0.521
BRU-THA-92256091-8
0.518
ALP-POS-e980f4ea-27
0.518
PET-UNK-48ab5cd7-2
0.518
PET-UNK-48ab5cd7-3
0.518
PET-UNK-7d68125a-1
0.518
ALP-POS-ced8ea4d-27
0.518
ALP-POS-305f6ec3-44
0.518
ALP-POS-e980f4ea-19
0.518
ALP-POS-305f6ec3-40
0.518
ALP-POS-ced8ea4d-19
0.518
ALP-POS-ced8ea4d-63
0.517
ALP-POS-305f6ec3-35
0.517
ALP-UNI-fe744232-17
0.517
ALP-POS-ced8ea4d-17
0.517
PET-UNK-7d68125a-3
0.514
PET-UNK-7d68125a-2
0.514
ALP-POS-95f71980-2
0.514
ALP-POS-95f71980-17
0.514
MAT-POS-f2460aef-5
0.513
ALP-POS-02c6a514-49
0.513
ALP-POS-02c6a514-50
0.513
PET-UNK-48ab5cd7-1
0.513
MAT-POS-f2460aef-4
0.513
ALP-POS-95f71980-25
0.513
ALP-POS-02c6a514-7
0.513
PET-UNK-48ab5cd7-6
0.513
ALP-POS-ced8ea4d-67
0.513
ALP-POS-b0bc6a46-6
0.513
WIL-UNI-354943b6-12
0.513
WIL-UNI-354943b6-8
0.513
ALP-POS-e980f4ea-17
0.513
KHR-WEI-75c61062-2
0.510
ALP-POS-1245c3fa-1
0.509
ALP-POS-02c6a514-52
0.509
BRU-THA-92256091-24
0.509
ALP-POS-305f6ec3-59
0.509
JOE-NOR-4e4adc6b-1
0.509
ALP-POS-e980f4ea-67
0.509
ALP-POS-ced8ea4d-9
0.509
ALP-POS-b0bc6a46-8
0.509
BRU-THA-92256091-19
0.509
ALP-POS-95f71980-29
0.509
ALP-POS-02c6a514-14
0.509
ALP-POS-ced8ea4d-49
0.509
ALP-POS-e980f4ea-63
0.509
ALP-POS-305f6ec3-19
0.509
ALP-POS-95f71980-18
0.509
WIL-UNI-354943b6-9
0.508
ALP-UNI-fe744232-22
0.508
ALP-POS-305f6ec3-7
0.508
WIL-UNI-354943b6-4
0.508
ALP-UNI-fe744232-11
0.508
ALP-UNI-fe744232-13
0.508
KHR-WEI-75c61062-1
0.505
ALP-POS-e980f4ea-9
0.504