Molecular Properties | |
SMILES: | CC(C)(C)OC(=O)NCc1cccc(C[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)c1 |
MW: | 557.21 |
Fraction sp3: | 0.28 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 89.55 |
cLogP: | 6.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
carbamate, T-boc Protected
carbamate include di-substitued N
MAT-POS-b3e365b9-1
JAG-UCB-706446eb-8
0.752
MAT-POS-e6dd326d-6
0.652
MAT-POS-e6dd326d-9
0.640
RAL-THA-e002e396-11
0.631
MAT-POS-e6dd326d-12
0.628
KAD-UNI-cb0f2bbc-3
0.621
MAT-POS-61f37a1a-4
0.621
MAT-POS-e6dd326d-7
0.621
EDJ-MED-28ec730d-2
0.619
MAT-POS-e6dd326d-2
0.618
MAT-POS-45b13633-2
0.618
RAL-THA-e002e396-2
0.616
RAL-THA-e002e396-1
0.616
EDG-MED-971238d3-2
0.615
MAT-POS-9db1e783-2
0.615
RAL-THA-e002e396-12
0.614
EDG-MED-971238d3-3
0.613
RAL-THA-58fba2bc-3
0.613
EDG-MED-971238d3-5
0.609
MAT-POS-2bb0cf2b-1
0.609
MAT-POS-45b13633-1
0.609
MAT-POS-e6dd326d-1
0.609
MAT-POS-45b13633-3
0.607
MAT-POS-e6dd326d-3
0.607
MAT-POS-f9802937-3
0.605
MAT-POS-45b13633-5
0.605
MAT-POS-5d65ec79-1
0.605
MAT-POS-f9802937-4
0.605
RAL-THA-e002e396-5
0.600
MAT-POS-e6dd326d-8
0.600
KAD-UNI-cb0f2bbc-10
0.598
MAT-POS-61f37a1a-1
0.598
JAG-UCB-706446eb-2
0.598
EDG-MED-971238d3-9
0.598
JAG-UCB-706446eb-3
0.598
EDG-MED-971238d3-10
0.598
RAL-THA-58fba2bc-1
0.598
MAT-POS-45b13633-4
0.598
EDG-MED-971238d3-6
0.598
EDG-MED-971238d3-8
0.596
MAT-POS-f9802937-6
0.596
RAL-THA-e002e396-6
0.596
MAT-POS-f9802937-5
0.596
MAT-POS-5d65ec79-2
0.596
EDJ-MED-f893e2a1-8
0.596
MAT-POS-e6dd326d-4
0.596
RAL-THA-e002e396-7
0.595
EDG-MED-70ae9412-2
0.593
ALP-POS-9c80c481-1
0.593
EDJ-MED-4c7486ba-1
0.593
EDJ-MED-4c7486ba-4
0.593
DAR-DIA-ecdbc7dd-13
0.593
EDJ-MED-fcba3f31-2
0.592
EDJ-MED-424a8a89-2
0.591
EDJ-MED-28ec730d-1
0.590
RAL-THA-e002e396-13
0.590
ALP-POS-477dc5b7-3
0.586
DAR-DIA-ecdbc7dd-16
0.585
EDJ-MED-15e90dfc-3
0.585
EDJ-MED-40433386-10
0.585
JAG-UCB-706446eb-4
0.585
EDJ-MED-424a8a89-1
0.585
MAT-POS-e6dd326d-10
0.585
JAG-UCB-706446eb-1
0.583
MAT-POS-fc9ede84-1
0.583
EDJ-MED-fcba3f31-5
0.583
DAR-DIA-ecdbc7dd-4
0.583
EDG-MED-971238d3-7
0.583
EDJ-MED-4c7486ba-2
0.581
EDG-MED-70ae9412-1
0.581
EDJ-MED-4c7486ba-5
0.581
RAL-THA-e002e396-8
0.576
DAR-DIA-ecdbc7dd-5
0.576
MAT-POS-e6dd326d-5
0.576
EDJ-MED-40433386-4
0.575
EDJ-MED-f893e2a1-10
0.574
DAR-DIA-ecdbc7dd-3
0.573
MAT-POS-e6dd326d-11
0.573
EDJ-MED-00143744-2
0.573
MAT-POS-e6dd326d-13
0.571
EDG-MED-ba1ac7b9-24
0.571
DAR-DIA-6a508060-13
0.571
EDJ-MED-fcba3f31-4
0.570
EDJ-MED-8c98ee63-1
0.570
MAT-POS-e6dd326d-14
0.569
KAD-UNI-8a629cb0-35
0.568
DAR-DIA-ecdbc7dd-18
0.567
RAL-THA-e002e396-3
0.567
EDJ-MED-15e90dfc-7
0.567
DAR-DIA-ecdbc7dd-2
0.567
EDJ-MED-40433386-3
0.566
EDJ-MED-4c7486ba-12
0.566
EDJ-MED-40433386-7
0.566
EDJ-MED-4c7486ba-9
0.566
MAT-POS-3b97339c-1
0.566
DAR-DIA-ecdbc7dd-11
0.563
ALP-UNI-0676e700-24
0.562
EDJ-MED-15e90dfc-5
0.562
EDG-MED-ba1ac7b9-3
0.561
EDJ-MED-fcba3f31-8
0.561