Molecular Properties | |
SMILES: | Cc1cc(=O)n2[nH]c(NC(=O)C[C@@]3(C(=O)Nc4cncc5ccccc45)CCOc4ccc(Cl)cc43)nc2n1 |
MW: | 543.14 |
Fraction sp3: | 0.19 |
HBA: | 8 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 143.37 |
cLogP: | 3.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-UNI-8e43a71e-14
1.000
MAT-POS-f9802937-5
0.673
MAT-POS-f9802937-6
0.673
MAT-POS-5d65ec79-2
0.673
CHO-MSK-a31cca77-2
0.664
EDJ-MED-d203f206-1
0.645
EDJ-MED-d203f206-20
0.645
CHO-MSK-a31cca77-1
0.645
JAG-UCB-706446eb-6
0.639
EDJ-MED-d203f206-13
0.634
MAT-POS-45b13633-4
0.632
EDG-MED-971238d3-10
0.632
RAL-THA-58fba2bc-1
0.632
EDJ-MED-d203f206-2
0.631
CHO-MSK-a31cca77-4
0.631
CHO-MSK-a31cca77-3
0.629
EDJ-MED-d203f206-18
0.629
MAT-POS-5d65ec79-1
0.624
MAT-POS-f9802937-3
0.624
MAT-POS-45b13633-5
0.624
MAT-POS-f9802937-4
0.624
EDJ-MED-d203f206-12
0.619
KAD-UNI-8a629cb0-31
0.611
ALP-UNI-76695c4f-10
0.611
MAT-POS-78e1d523-2
0.610
EDJ-MED-d203f206-7
0.608
EDJ-MED-d203f206-29
0.606
KAD-UNI-8a629cb0-46
0.602
EDJ-MED-d203f206-11
0.600
EDJ-MED-d203f206-34
0.595
RAL-THA-e002e396-2
0.593
RAL-THA-e002e396-1
0.593
RAL-THA-e002e396-5
0.592
MAT-POS-9db1e783-2
0.591
EDG-MED-971238d3-2
0.591
EDG-MED-971238d3-3
0.590
EDG-MED-971238d3-6
0.590
RAL-THA-58fba2bc-3
0.590
RAL-THA-e002e396-7
0.587
MAT-POS-45b13633-3
0.585
MAT-POS-e6dd326d-3
0.585
ALP-UNI-3496895b-12
0.584
ALP-UNI-8e43a71e-12
0.584
EDJ-MED-d203f206-23
0.583
EDG-MED-ba1ac7b9-6
0.583
RAL-THA-e002e396-8
0.582
MAT-POS-e6dd326d-5
0.582
ALP-UNI-3496895b-16
0.581
JAG-UCB-706446eb-7
0.581
ALP-UNI-8e43a71e-16
0.581
MAT-POS-e6dd326d-2
0.581
MAT-POS-45b13633-2
0.581
RAL-THA-e002e396-11
0.580
EDG-MED-ba1ac7b9-3
0.579
EDG-MED-ba1ac7b9-7
0.578
EDJ-MED-d203f206-17
0.578
JAG-UCB-706446eb-2
0.577
KAD-UNI-8a629cb0-10
0.577
ALP-UNI-3496895b-3
0.577
ALP-UNI-76695c4f-6
0.577
ALP-UNI-8e43a71e-3
0.577
KAD-UNI-80f122c8-2
0.577
JAG-UCB-706446eb-3
0.576
EDG-MED-971238d3-9
0.576
ALP-POS-67d5babe-2
0.576
EDG-MED-971238d3-8
0.575
EDJ-MED-f893e2a1-8
0.575
RAL-THA-e002e396-6
0.575
MAT-POS-e6dd326d-9
0.575
EDG-MED-ba1ac7b9-26
0.575
EDJ-MED-d203f206-19
0.574
EDG-MED-ba1ac7b9-13
0.574
MAT-POS-e6dd326d-1
0.573
MAT-POS-45b13633-1
0.573
MAT-POS-2bb0cf2b-1
0.573
EDG-MED-971238d3-5
0.573
ALP-POS-5bb456a5-10
0.571
ALP-POS-2da19ca7-1
0.571
ALP-POS-5bb456a5-9
0.571
DAR-DIA-ecdbc7dd-13
0.571
EDG-MED-ba1ac7b9-2
0.570
EDJ-MED-28ec730d-2
0.570
ALP-UNI-8e43a71e-9
0.568
KAD-UNI-8a629cb0-17
0.568
KAD-UNI-80f122c8-5
0.568
ALP-UNI-3496895b-8
0.568
EDG-MED-ba1ac7b9-30
0.568
ALP-UNI-76695c4f-8
0.568
ALP-UNI-3496895b-9
0.568
ALP-UNI-8e43a71e-8
0.568
EDG-MED-ba1ac7b9-25
0.567
EDG-MED-ba1ac7b9-1
0.566
EDJ-MED-d203f206-37
0.566
RAL-THA-e002e396-12
0.566
DAR-DIA-ecdbc7dd-3
0.566
JAG-UCB-706446eb-4
0.565
EDJ-MED-15e90dfc-3
0.565
EDJ-MED-424a8a89-1
0.565
ALP-UNI-76695c4f-1
0.564
EDG-MED-ba1ac7b9-5
0.564