Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@]1(CCOC[C@@H]2CC3(CC3)S(=O)(=O)N2)CCOc2ccc(Cl)cc21 |
MW: | 541.14 |
Fraction sp3: | 0.41 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 106.62 |
cLogP: | 4.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
KAD-UNI-8a629cb0-38
0.708
EDJ-MED-28ec730d-2
0.697
KAD-UNI-8a629cb0-1
0.680
EDG-MED-971238d3-6
0.676
ALP-POS-477dc5b7-3
0.661
RAL-THA-58fba2bc-3
0.661
EDG-MED-971238d3-9
0.661
EDG-MED-971238d3-3
0.661
JAG-UCB-706446eb-3
0.661
EDJ-MED-28ec730d-1
0.649
EDG-MED-971238d3-8
0.643
EDG-MED-971238d3-7
0.643
VLA-UCB-05e51b3f-13
0.636
DAR-DIA-6a508060-9
0.636
VLA-UCB-50c39ae8-10
0.636
JAG-UCB-706446eb-4
0.629
KAD-UNI-8a629cb0-36
0.624
KAD-UNI-8a629cb0-44
0.622
DAR-DIA-6a508060-13
0.615
JAG-UCB-706446eb-2
0.615
EDJ-MED-fcba3f31-9
0.613
DAR-DIA-ecdbc7dd-13
0.611
MAT-POS-e6dd326d-2
0.607
MAT-POS-45b13633-2
0.607
VLA-UCB-34f3ed0c-10
0.607
MAT-POS-9db1e783-2
0.604
EDG-MED-971238d3-2
0.604
KAD-UNI-8a629cb0-24
0.603
EDG-MED-971238d3-10
0.602
MAT-POS-45b13633-4
0.602
RAL-THA-58fba2bc-1
0.602
JAG-UCB-706446eb-1
0.600
DAR-DIA-ecdbc7dd-4
0.600
MAT-POS-45b13633-1
0.598
MAT-POS-2bb0cf2b-1
0.598
MAT-POS-e6dd326d-1
0.598
EDG-MED-971238d3-5
0.598
KAD-UNI-8a629cb0-27
0.597
KAD-UNI-8a629cb0-35
0.597
KAD-UNI-8a629cb0-32
0.595
EDJ-MED-424a8a89-2
0.595
MAT-POS-45b13633-5
0.595
KAD-UNI-8a629cb0-14
0.592
RAL-THA-e002e396-11
0.591
EDJ-MED-f893e2a1-4
0.590
MAT-POS-e6dd326d-11
0.590
DAR-DIA-ecdbc7dd-3
0.590
RAL-THA-e002e396-12
0.590
EDJ-MED-15e90dfc-6
0.589
EDJ-MED-15e90dfc-3
0.588
EDJ-MED-424a8a89-1
0.588
MAT-POS-e6dd326d-9
0.586
MAT-POS-f9802937-5
0.586
MAT-POS-5d65ec79-2
0.586
EDJ-MED-f893e2a1-8
0.586
MAT-POS-f9802937-6
0.586
MAT-POS-e6dd326d-4
0.586
KAD-UNI-8a629cb0-26
0.585
KAD-UNI-8a629cb0-39
0.585
MAT-POS-e6dd326d-6
0.585
DAR-DIA-ecdbc7dd-18
0.583
DAR-DIA-ecdbc7dd-2
0.583
KAD-UNI-8a629cb0-16
0.583
MAT-POS-e6dd326d-3
0.583
MAT-POS-45b13633-3
0.583
KAD-UNI-8a629cb0-34
0.581
MAT-POS-5d65ec79-1
0.581
MAT-POS-f9802937-3
0.581
MAT-POS-f9802937-4
0.581
DAR-DIA-ecdbc7dd-11
0.580
DAR-DIA-ecdbc7dd-5
0.580
EDJ-MED-f893e2a1-9
0.579
RAL-THA-e002e396-1
0.578
RAL-THA-e002e396-2
0.578
RAL-THA-e002e396-5
0.576
MAT-POS-e6dd326d-8
0.576
MAT-POS-e6dd326d-12
0.576
EDJ-MED-f893e2a1-6
0.576
EDJ-MED-fcba3f31-7
0.576
DAR-DIA-ecdbc7dd-16
0.575
MAT-POS-e6dd326d-10
0.575
EDJ-MED-fcba3f31-4
0.574
EDJ-MED-8c98ee63-1
0.574
MAT-POS-fc9ede84-1
0.574
KAD-UNI-8a629cb0-48
0.574
RAL-THA-e002e396-6
0.573
EDJ-MED-fcba3f31-3
0.573
EDJ-MED-f893e2a1-3
0.570
MAT-POS-e6dd326d-7
0.570
ALP-POS-9c80c481-1
0.570
EDJ-MED-d203f206-7
0.568
RAL-THA-e002e396-13
0.567
MAT-POS-e6dd326d-5
0.567
RAL-THA-e002e396-8
0.567
EDJ-MED-40433386-4
0.566
EDJ-MED-40433386-5
0.565
EDJ-MED-d203f206-20
0.565
EDJ-MED-fcba3f31-8
0.565
KAD-UNI-8a629cb0-25
0.564
EDJ-MED-f893e2a1-7
0.563