Molecular Properties | |
SMILES: | O=C(NCCc1ccccc1)C(c1cccnc1)N(C(=O)CCl)c1ccccc1Cl |
MW: | 442.346 |
Fraction sp3: | 0.17 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 62.3 |
cLogP: | 4.407 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1540769108 |
MolPort: | MolPort-030-082-641 |
Long aliphatic chain
AAR-POS-d2a4d1df-1
RYA-UNI-f4a878f6-1
0.469
ALP-POS-02c6a514-11
0.437
ALP-POS-e980f4ea-28
0.437
BRU-THA-92256091-8
0.429
RYA-UNI-c3f66fb2-1
0.427
ALP-POS-ced8ea4d-28
0.425
ALP-POS-02c6a514-14
0.422
ALP-POS-b0bc6a46-8
0.422
ALP-POS-e980f4ea-64
0.419
KHR-WEI-75c61062-2
0.414
ALP-POS-02c6a514-2
0.413
ALP-POS-b0bc6a46-2
0.413
LON-WEI-2e27a2e5-2
0.413
ALF-EVA-719172df-6
0.410
MIC-UNK-8686cf1d-6
0.409
ALP-POS-1245c3fa-1
0.407
BRU-THA-92256091-7
0.402
PET-UNK-7d68125a-4
0.402
ALP-POS-e980f4ea-35
0.402
ALP-POS-02c6a514-6
0.400
MAT-POS-f2460aef-4
0.400
ALP-UNI-c3ef0aba-3
0.400
ALP-POS-ced8ea4d-35
0.398
BRU-THA-92256091-88
0.398
ALP-POS-95f71980-13
0.398
ALP-POS-95f71980-17
0.398
ALP-POS-95f71980-2
0.398
PET-UNK-7d68125a-2
0.398
PAU-WEI-ca14c437-1
0.396
ALP-POS-e980f4ea-37
0.396
ALP-POS-1245c3fa-2
0.396
ALP-POS-e980f4ea-67
0.396
PAU-WEI-5b8d5051-1
0.396
LON-WEI-adc59df6-47
0.396
PAU-WEI-5b8d5051-2
0.396
LON-POS-586a7c45-1
0.396
ALP-POS-ced8ea4d-64
0.394
BRU-THA-92256091-18
0.393
ALP-POS-305f6ec3-3
0.393
ALP-POS-e980f4ea-49
0.393
BRU-THA-92256091-32
0.393
ALP-POS-02c6a514-38
0.393
ALP-POS-b0bc6a46-23
0.393
LON-WEI-babf2c61-9
0.393
WIL-UNI-de614146-8
0.391
ALP-POS-305f6ec3-44
0.391
PET-UNK-48ab5cd7-3
0.391
PET-UNK-48ab5cd7-2
0.391
ALP-POS-ced8ea4d-37
0.389
BRU-THA-92256091-31
0.389
ALP-POS-ced8ea4d-67
0.389
ALP-POS-e980f4ea-27
0.389
MAT-POS-f2460aef-2
0.389
ALP-POS-02c6a514-26
0.389
MAT-POS-f2460aef-1
0.389
ALP-POS-95f71980-21
0.389
LON-WEI-2e27a2e5-1
0.389
ALP-UNI-fe744232-16
0.387
ALP-POS-02c6a514-46
0.387
ALP-POS-02c6a514-49
0.387
ALP-POS-95f71980-25
0.387
ALP-POS-95f71980-24
0.387
PET-UNK-48ab5cd7-1
0.387
ALP-POS-ced8ea4d-49
0.386
ALP-POS-02c6a514-37
0.385
LON-WEI-babf2c61-10
0.385
PET-UNK-7d68125a-3
0.385
ALP-POS-b0bc6a46-22
0.385
ALP-POS-e980f4ea-54
0.385
ALP-POS-02c6a514-45
0.385
WIL-UNI-de614146-4
0.384
ALP-POS-ced8ea4d-54
0.384
ALP-POS-305f6ec3-56
0.384
KHR-WEI-75c61062-1
0.382
ALP-POS-02c6a514-52
0.382
ALP-POS-02c6a514-39
0.382
ALP-POS-02c6a514-12
0.382
BRU-THA-92256091-24
0.382
ALP-POS-305f6ec3-49
0.382
ALP-POS-95f71980-4
0.382
WIL-UNI-de614146-7
0.382
ALP-POS-b0bc6a46-24
0.382
ALP-POS-305f6ec3-59
0.382
JOE-NOR-4e4adc6b-1
0.382
ALP-POS-b0bc6a46-3
0.381
ALP-POS-02c6a514-3
0.381
ALP-POS-95f71980-40
0.381
ALP-UNI-fe744232-6
0.381
ALP-POS-780445ae-6
0.381
ALP-POS-e980f4ea-39
0.381
MIC-UNK-8686cf1d-2
0.379
ALP-POS-305f6ec3-51
0.379
LON-WEI-adc59df6-40
0.379
ALP-UNI-fe744232-10
0.378
ALP-POS-02c6a514-22
0.378
ALP-POS-305f6ec3-46
0.378
ALP-POS-305f6ec3-41
0.378
ALP-POS-e980f4ea-9
0.378
ALP-POS-e980f4ea-19
0.378
BRU-THA-92256091-22
0.378