Molecular Properties | |
SMILES: | CNC(=O)CN1CC2(CCN(c3cncc4ccccc34)C2)c2cc(Cl)ccc2C1=O |
MW: | 434.15 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 65.54 |
cLogP: | 3.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-50c39ae8-2
EDJ-MED-8bb691af-9
0.657
EDJ-MED-8bb691af-1
0.644
PET-UNK-14142a25-10
0.625
LUO-POS-9931618f-1
0.625
PET-UNK-14142a25-1
0.625
MIK-ENA-37e0b697-1
0.625
MIK-ENA-794411b8-1
0.625
LUO-POS-9931618f-2
0.625
EDJ-MED-8bb691af-8
0.625
PET-UNK-14142a25-2
0.602
PET-UNK-14142a25-11
0.602
EDJ-MED-fd8ed875-3
0.602
PET-UNK-14142a25-8
0.586
PET-UNK-14142a25-17
0.586
EDJ-MED-fed7ac0b-4
0.577
EDJ-MED-fd8ed875-1
0.577
MAT-POS-1bed62cf-2
0.573
LUO-POS-868e8996-8
0.573
EDJ-MED-a12e3a20-2
0.573
LUO-POS-868e8996-7
0.573
PET-UNK-4c71d490-3
0.571
PET-UNK-4c71d490-7
0.571
PET-UNK-14142a25-4
0.566
PET-UNK-14142a25-13
0.566
EDJ-MED-fd8ed875-5
0.566
EDJ-MED-fed7ac0b-1
0.562
PET-UNK-14142a25-6
0.561
PET-UNK-14142a25-15
0.561
MIC-UNK-eb20c3e1-2
0.558
PET-UNK-4c71d490-1
0.553
PET-UNK-4c71d490-5
0.553
EDJ-MED-a6bd6de0-1
0.548
EDJ-MED-b0f3342b-1
0.548
JOH-MSK-4bb3d434-5
0.540
JOH-MSK-4bb3d434-1
0.527
EDJ-MED-33064c06-3
0.517
ALP-POS-c3a90b22-5
0.513
VLA-UNK-8e615992-5
0.513
VLA-UNK-61877630-6
0.513
EDJ-MED-33064c06-1
0.513
ALP-POS-e266d783-1
0.509
MAT-POS-853c0ffa-2
0.509
LUO-POS-868e8996-6
0.509
EDJ-MED-43f8f7d6-5
0.509
EDG-MED-b1ef7fe3-1
0.509
LUO-POS-868e8996-5
0.509
LUO-POS-8c3e556a-1
0.509
LUO-POS-8c3e556a-2
0.509
EDJ-MED-33064c06-18
0.509
EDJ-MED-33064c06-2
0.509
EDJ-MED-33064c06-5
0.508
EDJ-MED-33064c06-12
0.508
VLA-UNK-61877630-4
0.504
VLA-UNK-8e615992-1
0.504
EDJ-MED-4cb9dd84-1
0.504
EDJ-MED-33064c06-8
0.504
EDJ-MED-8bb691af-2
0.500
PET-UNK-7955f415-1
0.500
JOH-MSK-4bb3d434-3
0.500
MAT-POS-853c0ffa-1
0.500
MAT-POS-1d5ab790-3
0.500
VLA-UNK-61877630-5
0.500
VLA-UNK-8e615992-2
0.500
PET-UNK-7955f415-3
0.500
EDJ-MED-3af0740c-1
0.500
EDJ-MED-33064c06-4
0.500
EDJ-MED-33064c06-15
0.500
EDJ-MED-33064c06-14
0.496
VLA-UNK-61877630-3
0.496
VLA-UNK-8e615992-4
0.496
EDJ-MED-015fb6b4-1
0.496
EDG-MED-b1ef7fe3-4
0.496
EDJ-MED-33064c06-6
0.492
ALP-POS-c3a90b22-11
0.492
EDJ-MED-33064c06-10
0.492
MAT-POS-38eb6498-6
0.492
MAT-POS-ddfe83c6-1
0.492
PET-UNK-7955f415-4
0.491
PET-UNK-7955f415-2
0.491
EDJ-MED-33064c06-17
0.488
ALP-POS-c3a90b22-12
0.488
EDJ-MED-33064c06-9
0.488
EDJ-MED-b6c6ee2b-6
0.487
EDG-MED-b1ef7fe3-2
0.487
MAT-POS-983b399a-2
0.486
EDJ-MED-159244ea-2
0.486
MAT-POS-e48723dc-1
0.483
LUO-POS-e1dab717-2
0.483
EDJ-MED-976a33d5-1
0.483
MAT-POS-576f7758-2
0.483
MAT-POS-e48723dc-2
0.483
ALP-POS-afe0272e-2
0.482
EDJ-MED-7d88f880-1
0.479
JOH-MSK-4bb3d434-4
0.479
EDJ-MED-b6c6ee2b-5
0.476
MAT-POS-38eb6498-4
0.476
ALP-POS-c3a90b22-1
0.475
EDJ-MED-98c0a822-3
0.475
12_-111-3e02a1cd-2
0.475
PET-UNK-77d5678a-3
0.475