Molecular Properties | |
SMILES: | CNC(=O)CN1C[C@@H](C(=O)Nc2c(C(F)F)ncc3ccccc23)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: | ✗ |
EDJ-MED-015fb6b4-2
0.660
MAT-POS-acfe5bae-2
0.660
MAT-POS-a54ce14d-2
0.660
MAT-POS-a54ce14d-3
0.660
JOH-UNI-6b98e24c-1
0.583
EDJ-MED-43f8f7d6-3
0.583
RAL-THA-a9c31980-3
0.583
MIC-UNK-51049f1a-1
0.582
MAT-POS-e119ab4f-2
0.579
MAT-POS-c7726e07-4
0.579
MAT-POS-c7726e07-3
0.579
LUO-POS-868e8996-3
0.574
LUO-POS-868e8996-4
0.574
RAL-THA-a9c31980-1
0.574
EDJ-MED-0186a59b-5
0.569
MAT-POS-e119ab4f-1
0.569
MAT-POS-c7726e07-1
0.569
MAT-POS-c7726e07-2
0.569
EDJ-MED-0186a59b-6
0.566
LUO-POS-74179f4f-1
0.566
LUO-POS-edefcc0e-1
0.566
RAL-THA-a9c31980-4
0.560
EDJ-MED-c99b2211-2
0.560
EDJ-MED-75baa495-3
0.560
PET-UNK-f860268d-5
0.558
PET-UNK-f860268d-2
0.558
PET-UNK-f860268d-4
0.555
PET-UNK-f860268d-1
0.555
EDJ-MED-827e7cb4-3
0.550
EDJ-MED-ce467fd5-1
0.550
RAL-THA-a9c31980-5
0.550
EDJ-MED-343bb62d-1
0.546
EDJ-MED-0186a59b-8
0.545
MIK-ENA-5d9157e9-3
0.545
MIK-ENA-5d9157e9-4
0.545
MIC-UNK-51049f1a-2
0.545
RAL-THA-a9c31980-2
0.545
MAT-POS-97ec4bd1-4
0.545
EDJ-MED-c99b2211-1
0.545
EDJ-MED-fb79a796-2
0.543
RAL-THA-5e0a6f1a-1
0.541
PET-UNK-c7ac4d9e-1
0.541
PET-UNK-c7ac4d9e-2
0.541
EDJ-MED-43f8f7d6-4
0.541
MAT-POS-e119ab4f-3
0.541
RAL-THA-a9c31980-8
0.540
MIC-UNK-482af05e-3
0.537
RAL-THA-a9c31980-6
0.536
PET-UNK-c6bcc80b-3
0.530
PET-UNK-c6bcc80b-10
0.530
MIC-UNK-482af05e-4
0.528
ALP-POS-4483ae88-3
0.527
EDJ-MED-0186a59b-7
0.526
MAT-POS-2e8b2191-12
0.526
EDJ-MED-43f8f7d6-6
0.526
MAT-POS-2e8b2191-11
0.526
MAT-POS-13080fc6-2
0.522
RAL-THA-a9c31980-9
0.522
MAT-POS-13080fc6-4
0.517
MAT-POS-37ffad05-1
0.517
JOH-UNI-d2a12aa9-2
0.517
JOH-UNI-d2a12aa9-1
0.513
MAT-POS-b4d6b7fc-2
0.508
MAT-POS-b4d6b7fc-4
0.504
JOH-UNI-d2a12aa9-3
0.504
EDJ-MED-015fb6b4-3
0.500
JOH-UNI-d2a12aa9-4
0.496
EDJ-MED-e69ed63d-1
0.496
EDJ-MED-eb111c00-4
0.495
PET-UNK-4d432d33-2
0.495
EDJ-MED-eb111c00-3
0.495
PET-UNK-4d432d33-6
0.495
JOH-UNI-2440d4f3-1
0.492
ALP-POS-b3e0acc5-1
0.491
PET-UNK-4d432d33-1
0.491
PET-UNK-4d432d33-5
0.491
EDJ-MED-e69ed63d-7
0.487
PET-UNK-37251634-6
0.487
PET-UNK-37251634-14
0.487
DAR-DIA-9f765dc6-7
0.487
DAR-DIA-9f765dc6-8
0.487
DAR-DIA-9f765dc6-9
0.487
EDJ-MED-eb111c00-2
0.482
DAR-DIA-9f765dc6-11
0.478
DAR-DIA-9f765dc6-10
0.478
DAR-DIA-9f765dc6-12
0.478
EDJ-MED-e69ed63d-11
0.475
PET-UNK-f860268d-3
0.466
PET-UNK-37251634-1
0.466
PET-UNK-37251634-8
0.466
PET-UNK-37251634-9
0.466
PET-UNK-37251634-16
0.466
EDJ-MED-75baa495-2
0.466
PET-UNK-f860268d-6
0.466
EDG-MED-e300b289-1
0.466
JOH-UNI-6b98e24c-2
0.466
EDJ-MED-e69ed63d-13
0.463
EDJ-MED-e69ed63d-9
0.463
EDJ-MED-e69ed63d-15
0.463
PET-UNK-37251634-4
0.462