Molecular Properties | |
SMILES: | CNC(=O)CN1CC(C(=O)Nc2cncc3cccc(C(F)F)c23)c2cc(Cl)ccc2C1=O |
MW: | 472.11 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 91.4 |
cLogP: | 3.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-51049f1a-2
0.773
EDJ-MED-0186a59b-8
0.755
MIK-ENA-5d9157e9-3
0.755
MIK-ENA-5d9157e9-4
0.755
MAT-POS-e119ab4f-3
0.747
EDJ-MED-75baa495-3
0.720
MAT-POS-13080fc6-2
0.670
JOH-UNI-d2a12aa9-1
0.655
EDJ-MED-015fb6b4-2
0.647
MAT-POS-acfe5bae-2
0.647
MAT-POS-a54ce14d-3
0.647
MAT-POS-a54ce14d-2
0.647
MIC-UNK-51049f1a-3
0.639
MAT-POS-13080fc6-4
0.633
LUO-POS-74179f4f-1
0.631
LUO-POS-edefcc0e-1
0.631
EDJ-MED-0186a59b-6
0.631
MAT-POS-c7726e07-3
0.629
MAT-POS-c7726e07-4
0.629
MAT-POS-e119ab4f-2
0.629
JOH-UNI-d2a12aa9-3
0.628
EDJ-MED-ce467fd5-1
0.626
EDJ-MED-827e7cb4-3
0.626
MAT-POS-e119ab4f-1
0.617
MAT-POS-c7726e07-1
0.617
MAT-POS-c7726e07-2
0.617
EDJ-MED-0186a59b-5
0.617
EDJ-MED-0186a59b-7
0.615
MAT-POS-2e8b2191-12
0.615
EDJ-MED-75baa495-2
0.606
MAT-POS-97ec4bd1-4
0.606
EDJ-MED-343bb62d-1
0.594
MAT-POS-37ffad05-1
0.588
PET-UNK-c6bcc80b-3
0.588
PET-UNK-c6bcc80b-10
0.588
ALP-POS-4483ae88-3
0.587
MAT-POS-2e8b2191-11
0.584
JOH-UNI-6b98e24c-3
0.582
JOH-UNI-d2a12aa9-2
0.574
MAT-POS-b4d6b7fc-4
0.574
RAL-THA-a9c31980-3
0.573
JOH-UNI-6b98e24c-1
0.573
EDJ-MED-43f8f7d6-3
0.573
EDJ-MED-75baa495-1
0.570
MAT-POS-b4d6b7fc-2
0.565
MIC-UNK-482af05e-3
0.556
RAL-THA-a9c31980-5
0.554
JOH-UNI-d2a12aa9-4
0.551
LUO-POS-868e8996-3
0.550
RAL-THA-a9c31980-1
0.550
EDJ-MED-c99b2211-2
0.550
RAL-THA-a9c31980-4
0.550
LUO-POS-868e8996-4
0.550
PET-UNK-f860268d-2
0.547
PET-UNK-f860268d-5
0.547
RAL-THA-a9c31980-8
0.544
EDJ-MED-e69ed63d-1
0.539
EDJ-MED-e69ed63d-2
0.538
EDJ-MED-c99b2211-1
0.535
PET-UNK-c7ac4d9e-1
0.532
RAL-THA-5e0a6f1a-1
0.532
PET-UNK-c7ac4d9e-2
0.532
EDJ-MED-43f8f7d6-4
0.531
RAL-THA-a9c31980-6
0.526
EDG-MED-e300b289-2
0.526
RAL-THA-a9c31980-2
0.522
EDJ-MED-d165ed91-4
0.521
EDJ-MED-c99b2211-4
0.521
EDJ-MED-e69ed63d-12
0.521
EDJ-MED-e69ed63d-18
0.521
EDJ-MED-fb79a796-2
0.519
MIC-UNK-482af05e-4
0.518
EDJ-MED-43f8f7d6-6
0.517
EDJ-MED-e69ed63d-7
0.517
EDJ-MED-e69ed63d-11
0.517
EDJ-MED-e69ed63d-8
0.517
EDJ-MED-e69ed63d-13
0.517
EDJ-MED-e69ed63d-14
0.517
RAL-THA-a9c31980-9
0.513
EDG-MED-e300b289-1
0.509
EDJ-MED-e69ed63d-4
0.508
EDJ-MED-e69ed63d-17
0.504
EDJ-MED-e69ed63d-16
0.504
EDJ-MED-c99b2211-3
0.504
EDJ-MED-eb111c00-4
0.500
EDJ-MED-d165ed91-3
0.500
EDJ-MED-e69ed63d-5
0.500
EDJ-MED-e69ed63d-10
0.500
EDJ-MED-e69ed63d-3
0.500
EDG-MED-e300b289-3
0.496
ALP-POS-b3e0acc5-1
0.496
EDJ-MED-c4e42105-2
0.492
EDJ-MED-e69ed63d-6
0.492
EDJ-MED-e69ed63d-9
0.492
EDJ-MED-e69ed63d-15
0.492
PET-UNK-f860268d-4
0.491
PET-UNK-f860268d-1
0.491
EDJ-MED-eb111c00-2
0.487
EDJ-MED-eb111c00-3
0.486
PET-UNK-4d432d33-2
0.486