Molecular Properties | |
SMILES: | CC(C)(C)NC(=O)CN1CC(C(=O)Nc2cncc3cc(F)cc(Cl)c23)c2cc(Cl)ccc2C1=O |
MW: | 516.11 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 91.4 |
cLogP: | 4.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-75baa495-3
0.839
EDJ-MED-75baa495-1
0.762
EDJ-MED-e69ed63d-11
0.683
RAL-THA-a9c31980-4
0.676
EDJ-MED-c99b2211-2
0.676
EDJ-MED-0186a59b-8
0.660
MIK-ENA-5d9157e9-3
0.660
MIK-ENA-5d9157e9-4
0.660
EDJ-MED-c4e42105-2
0.631
EDJ-MED-e69ed63d-12
0.624
EDJ-MED-c99b2211-4
0.624
EDJ-MED-d165ed91-4
0.624
MIC-UNK-51049f1a-2
0.613
EDJ-MED-9537a89a-2
0.609
MAT-POS-e119ab4f-3
0.607
MIC-UNK-51049f1a-1
0.606
MAT-POS-c7726e07-3
0.604
MAT-POS-c7726e07-4
0.604
MAT-POS-e119ab4f-2
0.604
JOH-UNI-d2a12aa9-1
0.588
MAT-POS-13080fc6-2
0.586
MAT-POS-13080fc6-4
0.580
MAT-POS-97ec4bd1-4
0.568
MAT-POS-e119ab4f-1
0.564
EDJ-MED-0186a59b-5
0.564
MAT-POS-c7726e07-2
0.564
MAT-POS-c7726e07-1
0.564
MAT-POS-a54ce14d-3
0.561
MAT-POS-acfe5bae-2
0.561
EDJ-MED-015fb6b4-2
0.561
MAT-POS-a54ce14d-2
0.561
EDG-MED-e300b289-2
0.559
JOH-UNI-d2a12aa9-3
0.551
RAL-THA-a9c31980-8
0.549
EDJ-MED-e69ed63d-7
0.549
EDJ-MED-e69ed63d-17
0.548
LUO-POS-74179f4f-1
0.546
EDJ-MED-0186a59b-6
0.546
LUO-POS-edefcc0e-1
0.546
EDJ-MED-827e7cb4-3
0.545
EDJ-MED-ce467fd5-1
0.545
EDJ-MED-e69ed63d-1
0.544
EDJ-MED-343bb62d-1
0.541
LUO-POS-868e8996-3
0.541
LUO-POS-868e8996-4
0.541
RAL-THA-a9c31980-1
0.541
EDJ-MED-9537a89a-3
0.540
PET-UNK-c6bcc80b-3
0.538
PET-UNK-c6bcc80b-10
0.538
PET-UNK-f860268d-5
0.538
PET-UNK-f860268d-2
0.538
JOH-UNI-6b98e24c-1
0.536
EDJ-MED-43f8f7d6-3
0.536
RAL-THA-a9c31980-3
0.536
EDJ-MED-e69ed63d-13
0.534
RAL-THA-a9c31980-5
0.531
EDJ-MED-e69ed63d-3
0.530
EDJ-MED-c99b2211-1
0.526
MAT-POS-37ffad05-1
0.525
JOH-UNI-d2a12aa9-2
0.525
EDJ-MED-e69ed63d-18
0.525
PET-UNK-c7ac4d9e-2
0.523
PET-UNK-c7ac4d9e-1
0.523
RAL-THA-5e0a6f1a-1
0.523
EDJ-MED-43f8f7d6-4
0.522
EDJ-MED-0186a59b-7
0.522
MAT-POS-2e8b2191-12
0.522
EDJ-MED-e69ed63d-15
0.521
MAT-POS-2e8b2191-11
0.521
EDJ-MED-e69ed63d-6
0.521
EDJ-MED-e69ed63d-9
0.521
RAL-THA-a9c31980-6
0.518
EDG-MED-e300b289-1
0.513
RAL-THA-a9c31980-2
0.513
EDJ-MED-43f8f7d6-6
0.509
EDJ-MED-e69ed63d-8
0.508
RAL-THA-a9c31980-9
0.504
EDJ-MED-e69ed63d-2
0.504
MAT-POS-b4d6b7fc-2
0.504
MAT-POS-81ae2990-5
0.504
EDJ-MED-94fddcec-2
0.500
EDJ-MED-e69ed63d-4
0.500
MAT-POS-b4d6b7fc-4
0.500
EDG-MED-e300b289-3
0.500
MAT-POS-81ae2990-2
0.500
EDJ-MED-e69ed63d-14
0.496
EDJ-MED-e69ed63d-16
0.496
EDJ-MED-c99b2211-3
0.496
ALP-POS-4483ae88-3
0.496
MIC-UNK-482af05e-4
0.495
EDJ-MED-c4e42105-1
0.492
JOH-UNI-d2a12aa9-4
0.492
EDJ-MED-d165ed91-3
0.492
EDJ-MED-e69ed63d-5
0.492
EDJ-MED-e69ed63d-10
0.492
PET-UNK-c671f938-1
0.487
PET-UNK-c671f938-5
0.487
PET-UNK-4d432d33-1
0.486
EDJ-MED-41558c53-11
0.486
PET-UNK-4d432d33-5
0.486