Molecular Properties | |
SMILES: | Cn1cc(CN2CC2COc2cc(Cl)cc3c2OCCC3C(=O)Nc2cncc3ccccc23)cn1 |
MW: | 503.17 |
Fraction sp3: | 0.3 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 81.28 |
cLogP: | 4.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aziridine_diazirine
Three-membered heterocycle
Three-membered heterocycles
Filter40_epoxide_aziridine
Filter80_Thioepoxide_aziridone
aziridine-like N in 3-membered ring
DAR-DIA-0587064e-15
0.710
MAT-POS-5369c344-1
0.710
DAR-DIA-0587064e-12
0.670
MAT-POS-5369c344-4
0.670
DAR-DIA-0587064e-17
0.658
LAU-MED-88a3970a-1
0.649
LAU-MED-88a3970a-2
0.649
LAU-MED-88a3970a-4
0.637
LAU-MED-88a3970a-3
0.637
KAD-UNI-877d7bed-16
0.636
DAR-DIA-0587064e-19
0.635
MAT-POS-5369c344-3
0.635
MAT-POS-5369c344-7
0.624
NAU-LAT-0543f7f2-10
0.624
EDJ-MED-e4b030d8-7
0.624
MAT-POS-43fe65f4-1
0.624
RAL-THA-05e671eb-19
0.624
DAR-DIA-6a508060-4
0.624
DAR-DIA-0587064e-10
0.621
MAT-POS-5369c344-2
0.621
DAR-DIA-0587064e-20
0.619
MAT-POS-5369c344-6
0.613
KAD-UNI-877d7bed-10
0.612
DAR-DIA-0587064e-22
0.610
MAT-POS-5369c344-5
0.610
KAD-UNI-877d7bed-8
0.607
KAD-UNI-877d7bed-20
0.605
DAR-DIA-0587064e-24
0.603
KAD-UNI-877d7bed-6
0.597
KAD-UNI-877d7bed-1
0.595
KAD-UNI-877d7bed-12
0.593
KAD-UNI-877d7bed-17
0.592
KAD-UNI-877d7bed-11
0.592
KAD-UNI-877d7bed-15
0.585
KAD-UNI-877d7bed-18
0.585
KAD-UNI-877d7bed-4
0.583
EDJ-MED-e4b030d8-4
0.583
KAD-UNI-877d7bed-14
0.579
RAL-THA-05e671eb-18
0.577
KAD-UNI-877d7bed-2
0.576
KAD-UNI-877d7bed-19
0.576
KAD-UNI-877d7bed-5
0.575
KAD-UNI-877d7bed-13
0.571
VLA-UCB-05e51b3f-11
0.563
VLA-UCB-50c39ae8-8
0.563
RAL-THA-05e671eb-20
0.561
ALP-POS-fe871b40-1
0.561
KAD-UNI-877d7bed-7
0.556
RAL-THA-05e671eb-17
0.549
KAD-UNI-877d7bed-3
0.545
DAR-DIA-23e5a6a0-3
0.545
DAR-DIA-23e5a6a0-5
0.545
RAL-THA-05e671eb-16
0.545
ALP-UNI-3735e77e-2
0.545
ALP-POS-ce760d3f-1
0.540
EDJ-MED-e4b030d8-5
0.539
DAR-DIA-23e5a6a0-2
0.536
LAU-MED-88a3970a-13
0.533
LAU-MED-88a3970a-14
0.533
DAR-DIA-23e5a6a0-1
0.532
LAU-MED-88a3970a-8
0.529
LAU-MED-88a3970a-7
0.529
DAR-DIA-23e5a6a0-4
0.528
LAU-MED-88a3970a-5
0.525
LAU-MED-88a3970a-6
0.525
LAU-MED-88a3970a-18
0.525
LAU-MED-88a3970a-9
0.525
LAU-MED-88a3970a-10
0.525
LAU-MED-88a3970a-17
0.525
MIC-UNK-08fa0751-1
0.525
DAR-DIA-6a508060-5
0.525
LAU-MED-88a3970a-11
0.521
LAU-MED-88a3970a-12
0.521
LAU-MED-88a3970a-15
0.512
LAU-MED-88a3970a-16
0.512
RAL-THA-05e671eb-23
0.509
DAR-DIA-23e5a6a0-10
0.504
VLA-UNK-9a7dc93f-4
0.500
DAR-DIA-23e5a6a0-8
0.496
PET-UNK-c0891748-2
0.496
ALP-POS-fe871b40-5
0.496
EDJ-MED-12f7f543-1
0.496
RAL-THA-05e671eb-25
0.496
PET-UNK-c0891748-8
0.496
DAR-DIA-23e5a6a0-7
0.492
DAR-DIA-0587064e-14
0.488
RAL-THA-05e671eb-21
0.487
DAR-DIA-23e5a6a0-6
0.485
VLA-UCB-1dbca3b4-15
0.483
MAT-POS-b3e365b9-2
0.483
MAT-POS-b3e365b9-1
0.483
MAT-POS-f7918075-1
0.483
DAR-DIA-23e5a6a0-9
0.481
DAR-DIA-0587064e-26
0.481
ALP-POS-c86619f0-1
0.479
DAR-DIA-0587064e-13
0.476
FRA-DIA-b66f7109-3
0.472
RAL-THA-05e671eb-7
0.471
DAR-DIA-6a508060-3
0.471
ALP-POS-869ac754-2
0.470