Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@@H]1CCOc2c(CC3CC4(CCC4)N3)cc(Cl)cc21 |
MW: | 447.17 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 63.25 |
cLogP: | 5.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-23e5a6a0-10
0.944
DAR-DIA-23e5a6a0-8
0.883
DAR-DIA-23e5a6a0-6
0.837
DAR-DIA-6a508060-5
0.765
DAR-DIA-23e5a6a0-9
0.757
LAU-MED-88a3970a-5
0.670
LAU-MED-88a3970a-6
0.670
DAR-DIA-23e5a6a0-17
0.663
LAU-MED-88a3970a-11
0.660
LAU-MED-88a3970a-12
0.660
DAR-DIA-23e5a6a0-2
0.657
LAU-MED-88a3970a-7
0.657
LAU-MED-88a3970a-8
0.657
LAU-MED-88a3970a-15
0.650
LAU-MED-88a3970a-17
0.650
LAU-MED-88a3970a-9
0.650
LAU-MED-88a3970a-10
0.650
LAU-MED-88a3970a-16
0.650
LAU-MED-88a3970a-18
0.650
LAU-MED-88a3970a-13
0.644
LAU-MED-88a3970a-14
0.644
DAR-DIA-23e5a6a0-1
0.636
ALP-POS-ce760d3f-1
0.626
DAR-DIA-23e5a6a0-5
0.624
RAL-THA-05e671eb-18
0.620
DAR-DIA-23e5a6a0-20
0.619
ALP-UNI-3735e77e-2
0.616
RAL-THA-05e671eb-16
0.616
MAT-POS-5369c344-4
0.610
DAR-DIA-0587064e-12
0.610
DAR-DIA-23e5a6a0-3
0.609
RAL-THA-05e671eb-17
0.604
LAU-MED-88a3970a-1
0.604
LAU-MED-88a3970a-2
0.604
MAT-POS-5369c344-1
0.604
DAR-DIA-0587064e-15
0.604
DAR-DIA-0587064e-17
0.598
DAR-DIA-0587064e-22
0.595
LAU-MED-88a3970a-4
0.593
LAU-MED-88a3970a-3
0.593
EDJ-MED-e4b030d8-7
0.592
RAL-THA-05e671eb-19
0.592
EDJ-MED-e4b030d8-5
0.592
MAT-POS-43fe65f4-1
0.592
DAR-DIA-6a508060-4
0.592
ALP-POS-fe871b40-1
0.587
RAL-THA-05e671eb-20
0.587
MAT-POS-5369c344-5
0.580
DAR-DIA-23e5a6a0-18
0.578
MAT-POS-5369c344-2
0.577
DAR-DIA-0587064e-10
0.577
KAD-UNI-877d7bed-17
0.576
DAR-DIA-0587064e-20
0.575
MIC-UNK-08fa0751-1
0.574
DAR-DIA-0587064e-24
0.574
VLA-UCB-05e51b3f-11
0.573
VLA-UCB-50c39ae8-8
0.573
KAD-UNI-877d7bed-15
0.569
NAU-LAT-0543f7f2-10
0.566
EDJ-MED-e4b030d8-4
0.565
KAD-UNI-877d7bed-12
0.564
DAR-DIA-0587064e-19
0.562
MAT-POS-5369c344-3
0.562
DAR-DIA-23e5a6a0-4
0.560
KAD-UNI-877d7bed-6
0.555
MAT-POS-5369c344-7
0.553
KAD-UNI-877d7bed-16
0.552
DAR-DIA-23e5a6a0-16
0.549
ALP-POS-fe871b40-5
0.544
RAL-THA-05e671eb-25
0.544
PET-UNK-c0891748-2
0.544
EDJ-MED-12f7f543-1
0.544
PET-UNK-c0891748-8
0.544
MAT-POS-5369c344-6
0.543
KAD-UNI-877d7bed-10
0.542
KAD-UNI-877d7bed-18
0.542
FRA-DIA-b66f7109-3
0.540
KAD-UNI-877d7bed-1
0.538
KAD-UNI-877d7bed-8
0.538
KAD-UNI-877d7bed-20
0.537
RAL-THA-05e671eb-21
0.535
KAD-UNI-877d7bed-2
0.533
KAD-UNI-877d7bed-19
0.533
KAD-UNI-877d7bed-5
0.533
ALP-POS-869ac754-2
0.529
KAD-UNI-877d7bed-13
0.529
MAT-POS-f7918075-1
0.529
MAT-POS-b3e365b9-2
0.529
MAT-POS-b3e365b9-1
0.529
VLA-UCB-1dbca3b4-15
0.529
KAD-UNI-877d7bed-14
0.525
KAD-UNI-877d7bed-11
0.525
ALP-POS-c86619f0-1
0.524
RAL-THA-05e671eb-3
0.514
BEN-BAS-c2bc0d80-5
0.514
MAR-UCB-6ab2ec87-4
0.510
DAR-DIA-0587064e-26
0.508
RAL-THA-05e671eb-22
0.505
RYA-UNI-6d7114fd-1
0.505
ALP-POS-869ac754-1
0.505