Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C2(C1)CC1(CC1)N(c1cncc3ccccc13)C2=O |
MW: | 460.17 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 65.54 |
cLogP: | 3.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
LUO-POS-e1dab717-18
0.771
EDJ-MED-8bb691af-4
0.690
LUO-POS-868e8996-11
0.690
MAT-POS-c7726e07-5
0.690
LUO-POS-868e8996-12
0.690
MAT-POS-c7726e07-6
0.690
ALP-POS-133e7cd9-1
0.660
PET-UNK-eeb64427-1
0.642
PET-UNK-eeb64427-4
0.642
MAT-POS-1bed62cf-3
0.635
JOH-MSK-1f2dff76-1
0.635
JOH-MSK-1f2dff76-2
0.635
PET-UNK-eeb64427-5
0.617
PET-UNK-eeb64427-2
0.617
LUO-POS-e1dab717-15
0.607
MIK-ENA-1494235a-1
0.606
MIK-ENA-4ed700b1-1
0.606
MIK-ENA-4a1c9a78-1
0.606
MAT-POS-69786b79-3
0.596
MAT-POS-e75f6e44-7
0.595
ALP-POS-ecbed2ba-14
0.591
MAT-POS-e75f6e44-5
0.591
EDJ-MED-6b23330e-6
0.589
MAT-POS-e75f6e44-6
0.589
EDJ-MED-6b23330e-7
0.586
EDJ-MED-6b23330e-2
0.586
MAT-POS-e75f6e44-4
0.586
EDJ-MED-6b23330e-5
0.586
LUO-POS-f7b1afe6-3
0.585
MAT-POS-ddfe83c6-6
0.583
EDJ-MED-6b23330e-4
0.580
LUO-POS-b4dec3be-2
0.577
MAT-POS-b4d6b7fc-5
0.577
BRU-THA-ae0174a8-1
0.577
MAT-POS-69786b79-2
0.577
LUO-POS-b4dec3be-1
0.577
MIK-ENA-610c7cf9-1
0.577
MAT-POS-e75f6e44-1
0.577
MIK-ENA-4bb8c98f-1
0.577
LUO-POS-e1dab717-19
0.575
MAT-POS-e75f6e44-19
0.575
MAT-POS-e75f6e44-9
0.574
MAT-POS-e75f6e44-8
0.574
EDJ-MED-6b23330e-1
0.571
MAT-POS-e75f6e44-2
0.571
MAT-POS-e75f6e44-10
0.570
EDJ-MED-33064c06-16
0.570
MAT-POS-e75f6e44-17
0.566
MAT-POS-38eb6498-5
0.566
ALP-POS-ecbed2ba-12
0.562
MAT-POS-566864e2-2
0.562
MAT-POS-566864e2-1
0.562
MAT-POS-e75f6e44-12
0.561
MAT-POS-e75f6e44-15
0.561
MAT-POS-e75f6e44-16
0.560
MAT-POS-50a80394-4
0.560
MAT-POS-50a80394-5
0.560
MAT-POS-e75f6e44-3
0.558
MAT-POS-e75f6e44-11
0.557
EDJ-MED-6b23330e-3
0.556
MAT-POS-ddfe83c6-5
0.555
MAT-POS-1d5ab790-2
0.554
MAT-POS-b4d6b7fc-6
0.554
EDJ-MED-b6c6ee2b-2
0.553
EDJ-MED-8bb691af-1
0.551
MIC-UNK-eb20c3e1-1
0.550
MAT-POS-e75f6e44-13
0.548
MAT-POS-69786b79-4
0.548
MAT-POS-e75f6e44-21
0.547
VLA-MRT-a639d434-1
0.545
MAT-POS-ddfe83c6-4
0.545
VLA-MRT-8c78ee15-3
0.545
PET-UNK-94036022-7
0.545
MAT-POS-50a80394-7
0.545
LUO-POS-f7b1afe6-4
0.545
PET-UNK-94036022-14
0.545
ALP-POS-c3a90b22-6
0.545
MAT-POS-e75f6e44-14
0.543
MAT-POS-ddfe83c6-3
0.541
VLA-UNK-5d8210f0-2
0.540
MAT-POS-e75f6e44-18
0.538
MAT-POS-e75f6e44-20
0.538
EDJ-MED-8bb691af-3
0.536
MAT-POS-ddfe83c6-2
0.536
ALP-POS-afe0272e-1
0.532
EDJ-MED-24007d8a-1
0.531
EDJ-MED-b6c6ee2b-1
0.528
MAT-POS-38eb6498-3
0.528
MAT-POS-50a80394-6
0.526
PET-UNK-eeb64427-6
0.526
PET-UNK-eeb64427-3
0.526
MAT-POS-b4d6b7fc-7
0.521
VLA-UNK-5d8210f0-1
0.518
MIK-ENA-9eb8d9fb-1
0.517
PET-UNK-df7eb4e6-5
0.513
PET-UNK-df7eb4e6-1
0.513
MIK-ENA-f73d8b60-1
0.513
MAT-POS-566864e2-4
0.509
MAT-POS-69786b79-1
0.509
LUO-POS-e1dab717-1
0.509