Molecular Properties | |
SMILES: | CNC(=O)CN1CC(C(=O)Nc2cncc3cc(Cl)ccc23)c2cc(Cl)ccc2C1=O |
MW: | 456.08 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 91.4 |
cLogP: | 3.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-3324058f-8
PET-UNK-3324058f-6
PET-UNK-3324058f-5
PET-UNK-3324058f-4
PET-UNK-3324058f-3
PET-UNK-3324058f-7
PET-UNK-3324058f-2
PET-UNK-3324058f-1
PET-UNK-c671f938-7
PET-UNK-c671f938-4
PET-UNK-c671f938-3
PET-UNK-c671f938-2
PET-UNK-c671f938-1
PET-UNK-c671f938-8
PET-UNK-c671f938-6
PET-UNK-c671f938-5
PET-UNK-6e612674-12
PET-UNK-6e612674-11
PET-UNK-6e612674-8
PET-UNK-6e612674-3
PET-UNK-6e612674-2
PET-UNK-6e612674-1
PET-UNK-6e612674-16
PET-UNK-6e612674-7
PET-UNK-6e612674-6
PET-UNK-6e612674-15
PET-UNK-6e612674-14
PET-UNK-6e612674-13
PET-UNK-6e612674-10
PET-UNK-6e612674-9
PET-UNK-6e612674-5
PET-UNK-6e612674-4
EDJ-MED-0186a59b-6
1.000
LUO-POS-74179f4f-1
1.000
EDJ-MED-0186a59b-5
0.833
MAT-POS-e119ab4f-1
0.833
MAT-POS-c7726e07-1
0.833
MAT-POS-c7726e07-2
0.833
MAT-POS-2e8b2191-12
0.806
EDJ-MED-0186a59b-7
0.806
EDG-MED-e300b289-2
0.804
EDG-MED-e300b289-1
0.802
MAT-POS-acfe5bae-2
0.798
MAT-POS-a54ce14d-3
0.798
EDJ-MED-015fb6b4-2
0.798
MAT-POS-a54ce14d-2
0.798
MAT-POS-b4d6b7fc-2
0.792
EDG-MED-e300b289-3
0.777
MAT-POS-b4d6b7fc-4
0.765
EDJ-MED-41558c53-9
0.750
PET-UNK-c671f938-2
0.742
PET-UNK-c671f938-6
0.742
EDJ-MED-41558c53-11
0.736
MAT-POS-e119ab4f-2
0.734
MAT-POS-c7726e07-4
0.734
MAT-POS-c7726e07-3
0.734
EDJ-MED-e69ed63d-7
0.714
EDJ-MED-827e7cb4-3
0.711
EDJ-MED-ce467fd5-1
0.711
MAT-POS-97ec4bd1-4
0.704
EDJ-MED-41558c53-13
0.702
EDJ-MED-e69ed63d-11
0.697
JOH-UNI-d2a12aa9-2
0.696
PET-UNK-c6bcc80b-10
0.696
PET-UNK-c6bcc80b-3
0.696
EDJ-MED-e69ed63d-8
0.693
EDJ-MED-e69ed63d-13
0.693
MAT-POS-2e8b2191-11
0.693
EDJ-MED-e69ed63d-17
0.693
EDJ-MED-41558c53-7
0.691
LUO-POS-868e8996-3
0.691
LUO-POS-868e8996-4
0.691
RAL-THA-a9c31980-1
0.691
EDJ-MED-e69ed63d-1
0.690
EDJ-MED-e69ed63d-12
0.683
EDJ-MED-d165ed91-4
0.683
EDJ-MED-c99b2211-4
0.683
JOH-UNI-d2a12aa9-4
0.683
PET-UNK-f860268d-5
0.677
PET-UNK-f860268d-2
0.677
EDJ-MED-41558c53-5
0.677
RAL-THA-a9c31980-5
0.677
EDJ-MED-e69ed63d-6
0.676
EDJ-MED-e69ed63d-15
0.676
EDJ-MED-e69ed63d-18
0.676
MIC-UNK-51049f1a-2
0.673
EDJ-MED-c99b2211-2
0.673
RAL-THA-a9c31980-4
0.673
EDJ-MED-e69ed63d-3
0.673
EDJ-MED-e69ed63d-14
0.673
EDJ-MED-e69ed63d-16
0.673
EDJ-MED-e69ed63d-2
0.670
JOH-UNI-6b98e24c-1
0.667
RAL-THA-a9c31980-3
0.667
EDJ-MED-d165ed91-3
0.667
EDJ-MED-43f8f7d6-3
0.667
EDJ-MED-e69ed63d-5
0.667
MAT-POS-37ffad05-1
0.663
EDJ-MED-e69ed63d-4
0.663
EDJ-MED-43f8f7d6-6
0.663
RAL-THA-a9c31980-8
0.663
EDJ-MED-41558c53-1
0.663
EDJ-MED-e69ed63d-9
0.660
PET-UNK-3324058f-6
0.660
RAL-THA-a9c31980-6
0.660
PET-UNK-3324058f-2
0.660
EDJ-MED-c99b2211-3
0.657
MIK-ENA-5d9157e9-4
0.657
EDJ-MED-75baa495-3
0.657
EDJ-MED-0186a59b-8
0.657
MIK-ENA-5d9157e9-3
0.657
EDJ-MED-c99b2211-1
0.653
RAL-THA-5e0a6f1a-1
0.653
PET-UNK-c7ac4d9e-1
0.653
PET-UNK-c7ac4d9e-2
0.653
EDJ-MED-e69ed63d-10
0.651
EDJ-MED-43f8f7d6-4
0.650
MAT-POS-e119ab4f-3
0.650
RAL-THA-a9c31980-9
0.641
RAL-THA-a9c31980-2
0.637
EDJ-MED-41558c53-3
0.636
ALP-POS-4483ae88-3
0.634
MIC-UNK-51049f1a-1
0.631
PET-UNK-c671f938-1
0.626
EDJ-MED-343bb62d-1
0.626
PET-UNK-c671f938-5
0.626
JOH-UNI-d2a12aa9-1
0.626
MAT-POS-13080fc6-2
0.625
EDJ-MED-41558c53-10
0.624
MAT-POS-13080fc6-4
0.619
MIC-UNK-482af05e-3
0.616
PET-UNK-c671f938-3
0.608