Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)C1CCCO1)c1ccc(-c2n[nH]c3c2COCC3)cc1 |
MW: | 569.24 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 109.44 |
cLogP: | 4.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-b0bc6a46-16
0.748
ALP-POS-02c6a514-27
0.748
ALP-POS-780445ae-10
0.693
ALP-POS-02c6a514-17
0.687
ALP-POS-02c6a514-51
0.516
ALP-POS-e980f4ea-62
0.504
BRU-THA-92256091-80
0.496
ALP-POS-ced8ea4d-62
0.496
ALP-POS-02c6a514-5
0.492
ALP-POS-b0bc6a46-5
0.492
ALP-POS-e980f4ea-53
0.481
ALP-POS-e980f4ea-32
0.478
ALP-POS-780445ae-8
0.478
ALP-POS-e980f4ea-47
0.478
ALP-POS-305f6ec3-35
0.477
ALP-POS-ced8ea4d-27
0.477
ALP-POS-e980f4ea-27
0.476
BRU-THA-92256091-54
0.474
ALP-POS-305f6ec3-51
0.474
MAT-POS-f2460aef-5
0.473
ALF-EVA-719172df-6
0.472
BRU-THA-92256091-84
0.471
ALP-POS-ced8ea4d-32
0.471
BRU-THA-92256091-55
0.471
ALP-POS-305f6ec3-47
0.471
ALP-POS-ced8ea4d-47
0.471
ALP-POS-95f71980-34
0.471
ALP-POS-02c6a514-52
0.469
BRU-THA-92256091-24
0.469
ALP-POS-02c6a514-38
0.468
ALP-POS-b0bc6a46-23
0.468
ALP-POS-95f71980-19
0.468
BRU-THA-92256091-91
0.468
ALP-POS-ced8ea4d-53
0.467
ALP-POS-ced8ea4d-63
0.466
ALP-POS-305f6ec3-38
0.466
ALP-POS-95f71980-21
0.465
LON-WEI-2e27a2e5-2
0.464
WIL-UNI-354943b6-12
0.463
ALP-POS-02c6a514-25
0.462
PET-UNK-48ab5cd7-1
0.462
ALP-POS-95f71980-22
0.462
ALP-POS-02c6a514-37
0.461
ALP-POS-b0bc6a46-22
0.461
ALP-POS-ced8ea4d-28
0.461
ALP-POS-95f71980-27
0.460
PAU-WEI-5b8d5051-2
0.460
ALP-POS-02c6a514-11
0.460
ALP-POS-e980f4ea-28
0.460
ALP-POS-305f6ec3-7
0.460
ALP-UNI-fe744232-22
0.459
ALP-POS-e980f4ea-63
0.459
ALP-POS-305f6ec3-20
0.459
ALP-POS-95f71980-38
0.458
ALP-POS-95f71980-4
0.457
ALP-POS-305f6ec3-59
0.457
ALP-POS-ced8ea4d-17
0.457
BRU-THA-92256091-75
0.455
ALP-POS-305f6ec3-40
0.455
ALP-POS-ced8ea4d-19
0.455
ALP-POS-305f6ec3-29
0.455
ALP-POS-305f6ec3-52
0.455
ALP-POS-305f6ec3-58
0.455
PET-UNK-48ab5cd7-2
0.454
ALP-POS-e980f4ea-19
0.454
ALP-POS-95f71980-10
0.453
MAT-POS-f2460aef-2
0.453
BRU-THA-92256091-8
0.453
ALP-POS-02c6a514-26
0.453
PET-UNK-7d68125a-4
0.453
LON-WEI-2e27a2e5-1
0.453
MAT-POS-f2460aef-1
0.453
ALP-POS-305f6ec3-45
0.453
ALP-POS-e980f4ea-17
0.453
ALP-POS-ced8ea4d-67
0.451
ALP-POS-305f6ec3-28
0.451
MAT-POS-f2460aef-4
0.450
ALP-POS-02c6a514-50
0.450
ALP-POS-305f6ec3-14
0.450
ALP-POS-95f71980-7
0.450
ALP-POS-305f6ec3-30
0.450
ALP-UNI-fe744232-13
0.450
PET-UNK-7d68125a-2
0.450
ALP-POS-305f6ec3-1
0.449
PAU-WEI-5b8d5051-1
0.449
LON-WEI-adc59df6-47
0.449
LON-POS-586a7c45-1
0.449
ALP-POS-e980f4ea-59
0.449
ALP-POS-95f71980-18
0.448
ALP-POS-ced8ea4d-49
0.448
ALP-POS-ced8ea4d-5
0.448
ALP-POS-ced8ea4d-11
0.448
ALP-UNI-fe744232-14
0.448
PET-UNK-48ab5cd7-5
0.447
ALP-POS-e980f4ea-67
0.447
ALP-POS-95f71980-6
0.447
BRU-THA-92256091-19
0.447
ALP-POS-ced8ea4d-9
0.447
ALP-POS-305f6ec3-49
0.446
ALP-POS-02c6a514-39
0.446