Molecular Properties | |
SMILES: | CCCOc1cc(Cl)cc2c1NCCC2C(=O)Nc1cncc2ccccc12 |
MW: | 395.14 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 63.25 |
cLogP: | 5.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0587064e-16
0.864
DAR-DIA-0587064e-11
0.824
DAR-DIA-0587064e-14
0.800
DAR-DIA-0587064e-21
0.798
DAR-DIA-0587064e-18
0.766
DAR-DIA-0587064e-23
0.750
DAR-DIA-0587064e-25
0.720
ALP-UNI-ba800595-1
0.659
MAT-POS-5369c344-4
0.643
DAR-DIA-0587064e-12
0.643
ALP-POS-fe871b40-2
0.642
ROB-UNI-611831f5-2
0.594
ALP-POS-fe871b40-6
0.594
MIC-UNK-91acba05-5
0.583
ALP-POS-477dc5b7-2
0.583
EDJ-MED-92e193ae-2
0.583
EDJ-MED-92e193ae-1
0.583
DAR-DIA-0587064e-17
0.583
LAU-MED-88a3970a-2
0.573
LAU-MED-88a3970a-1
0.573
LAU-MED-88a3970a-3
0.562
LAU-MED-88a3970a-4
0.562
EDJ-MED-e4b030d8-7
0.560
DAR-DIA-6a508060-4
0.560
RAL-THA-05e671eb-19
0.560
MAT-POS-43fe65f4-1
0.560
VLA-UNK-8e76d113-2
0.560
ALF-EVA-b701bd13-3
0.551
NAU-LAT-0543f7f2-10
0.550
ALF-EVA-82cf4849-5
0.550
MAT-POS-5369c344-2
0.546
DAR-DIA-0587064e-10
0.546
ALF-EVA-82cf4849-1
0.545
DAR-DIA-0587064e-20
0.545
VLA-UNK-8e76d113-1
0.544
DAR-DIA-0587064e-15
0.543
FRA-DIA-b66f7109-4
0.543
MAT-POS-5369c344-1
0.543
MAT-POS-78e1d523-6
0.541
MAT-POS-78e1d523-5
0.541
MAT-POS-f9802937-8
0.541
MAT-POS-f9802937-9
0.541
ALP-UNI-3735e77e-4
0.541
KAD-UNI-877d7bed-10
0.540
DAR-DIA-0587064e-27
0.536
EDJ-MED-e4b030d8-4
0.533
ALF-EVA-82cf4849-2
0.529
VLA-UCB-50c39ae8-8
0.528
VLA-UCB-05e51b3f-11
0.528
MAT-POS-5369c344-6
0.527
ALP-UNI-ba800595-2
0.525
ALP-POS-fe871b40-10
0.525
MAT-POS-5369c344-5
0.523
MAT-POS-5369c344-7
0.523
KAD-UNI-877d7bed-16
0.522
KAD-UNI-877d7bed-12
0.522
MAT-POS-5369c344-3
0.518
DAR-DIA-0587064e-19
0.518
KAD-UNI-877d7bed-2
0.517
ROB-UNI-322e8f70-2
0.515
RAL-THA-8416115c-3
0.515
KAD-UNI-877d7bed-18
0.513
KAD-UNI-877d7bed-15
0.513
RAL-THA-05e671eb-18
0.510
LAU-MED-88a3970a-13
0.509
LAU-MED-88a3970a-14
0.509
DAR-DIA-0587064e-22
0.509
DAR-DIA-23e5a6a0-1
0.509
RAL-THA-05e671eb-16
0.505
ALP-UNI-3735e77e-2
0.505
RAL-THA-4aa06b95-1
0.505
RAL-THA-8416115c-4
0.505
RAL-THA-4aa06b95-7
0.500
ALP-POS-ce760d3f-1
0.500
KAD-UNI-877d7bed-6
0.500
DAR-DIA-0f2f46c9-12
0.500
KAD-UNI-877d7bed-20
0.496
KAD-UNI-877d7bed-8
0.496
KAD-UNI-877d7bed-1
0.496
DAR-DIA-23e5a6a0-5
0.496
DAR-DIA-23e5a6a0-3
0.496
RAL-THA-05e671eb-17
0.495
EDJ-MED-12f7f543-1
0.495
MIC-UNK-91acba05-3
0.495
PET-UNK-c0891748-2
0.495
ALP-POS-fe871b40-5
0.495
RAL-THA-05e671eb-25
0.495
LUO-POS-868e8996-14
0.495
MAT-POS-66a736cf-1
0.495
LUO-POS-868e8996-13
0.495
PET-UNK-c0891748-8
0.495
DAR-DIA-0587064e-24
0.491
LAU-MED-88a3970a-8
0.491
LAU-MED-88a3970a-7
0.491
RAL-THA-4aa06b95-2
0.491
DAR-DIA-0f2f46c9-4
0.490
ALP-POS-966f8da6-2
0.490
RAL-THA-c11c1343-1
0.490
EDG-MED-5d232de5-4
0.490
EDG-MED-5d232de5-3
0.490