Molecular Properties | |
SMILES: | CNC(=O)CN1CC(C(=O)Nc2cncc3cc(F)cc(Cl)c23)c2cc(Cl)ccc2C1=O |
MW: | 474.07 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 91.4 |
cLogP: | 3.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-75baa495-2
0.839
MIK-ENA-5d9157e9-3
0.787
MIK-ENA-5d9157e9-4
0.787
EDJ-MED-0186a59b-8
0.787
EDJ-MED-75baa495-1
0.786
MIC-UNK-51049f1a-2
0.732
MAT-POS-e119ab4f-3
0.724
MAT-POS-c7726e07-4
0.722
MAT-POS-c7726e07-3
0.722
MAT-POS-e119ab4f-2
0.722
MIC-UNK-51049f1a-1
0.720
MAT-POS-13080fc6-2
0.696
JOH-UNI-d2a12aa9-1
0.695
MAT-POS-13080fc6-4
0.689
MAT-POS-a54ce14d-2
0.673
EDJ-MED-015fb6b4-2
0.673
MAT-POS-a54ce14d-3
0.673
MAT-POS-acfe5bae-2
0.673
MAT-POS-e119ab4f-1
0.673
MAT-POS-c7726e07-2
0.673
MAT-POS-c7726e07-1
0.673
EDJ-MED-0186a59b-5
0.673
LUO-POS-edefcc0e-1
0.657
LUO-POS-74179f4f-1
0.657
EDJ-MED-0186a59b-6
0.657
JOH-UNI-d2a12aa9-3
0.651
EDJ-MED-ce467fd5-1
0.650
EDJ-MED-827e7cb4-3
0.650
MAT-POS-97ec4bd1-4
0.644
PET-UNK-c6bcc80b-3
0.639
PET-UNK-c6bcc80b-10
0.639
EDJ-MED-343bb62d-1
0.634
MAT-POS-37ffad05-1
0.624
JOH-UNI-d2a12aa9-2
0.624
MAT-POS-2e8b2191-11
0.620
EDJ-MED-0186a59b-7
0.607
MAT-POS-2e8b2191-12
0.607
MAT-POS-b4d6b7fc-2
0.600
EDJ-MED-9537a89a-3
0.598
MAT-POS-b4d6b7fc-4
0.595
ALP-POS-4483ae88-3
0.594
JOH-UNI-d2a12aa9-4
0.584
RAL-THA-a9c31980-1
0.570
RAL-THA-a9c31980-4
0.570
EDJ-MED-c99b2211-2
0.570
LUO-POS-868e8996-4
0.570
LUO-POS-868e8996-3
0.570
PET-UNK-f860268d-2
0.569
PET-UNK-f860268d-5
0.569
RAL-THA-a9c31980-3
0.565
EDJ-MED-43f8f7d6-3
0.565
JOH-UNI-6b98e24c-1
0.565
RAL-THA-a9c31980-8
0.564
EDJ-MED-e69ed63d-11
0.564
MAT-POS-853c0ffa-4
0.564
MAT-POS-a334828f-2
0.564
EDJ-MED-e69ed63d-7
0.564
JOH-UNI-6b98e24c-3
0.560
RAL-THA-a9c31980-5
0.560
EDJ-MED-e69ed63d-1
0.559
EDJ-MED-c99b2211-1
0.555
PET-UNK-c7ac4d9e-2
0.551
RAL-THA-5e0a6f1a-1
0.551
PET-UNK-c7ac4d9e-1
0.551
EDJ-MED-43f8f7d6-4
0.550
EDJ-MED-e69ed63d-13
0.549
EDJ-MED-e69ed63d-17
0.549
RAL-THA-a9c31980-6
0.545
EDG-MED-e300b289-2
0.545
EDJ-MED-e69ed63d-3
0.545
RAL-THA-a9c31980-2
0.541
EDJ-MED-fb79a796-2
0.538
EDJ-MED-43f8f7d6-6
0.536
EDJ-MED-e69ed63d-6
0.535
EDJ-MED-e69ed63d-9
0.535
EDJ-MED-e69ed63d-15
0.535
RAL-THA-a9c31980-9
0.531
EDG-MED-e300b289-1
0.527
EDJ-MED-9537a89a-2
0.526
MIC-UNK-482af05e-4
0.523
EDJ-MED-015fb6b4-3
0.523
EDJ-MED-c4e42105-2
0.521
MIC-UNK-482af05e-3
0.519
MAT-POS-81ae2990-5
0.517
EDJ-MED-94fddcec-2
0.514
PET-UNK-4d432d33-5
0.514
PET-UNK-4d432d33-1
0.514
EDG-MED-e300b289-3
0.513
EDJ-MED-e69ed63d-12
0.513
EDJ-MED-d165ed91-4
0.513
EDJ-MED-c99b2211-4
0.513
MAT-POS-81ae2990-2
0.513
EDJ-MED-e69ed63d-18
0.513
DAR-DIA-9f765dc6-8
0.509
DAR-DIA-9f765dc6-7
0.509
DAR-DIA-9f765dc6-9
0.509
PET-UNK-f860268d-1
0.509
PET-UNK-f860268d-4
0.509
EDJ-MED-ce467fd5-2
0.509
EDJ-MED-e69ed63d-8
0.509