Molecular Properties | |
SMILES: | CNC(=O)CN1CC(C)(C(=O)Nc2cncc3ccc(F)cc23)c2cc(Cl)ccc2C1=O |
MW: | 454.12 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 91.4 |
cLogP: | 3.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-e266d783-1
ALP-POS-e266d783-1
0.798
EDJ-MED-43f8f7d6-5
0.798
LUO-POS-868e8996-6
0.798
MAT-POS-853c0ffa-2
0.798
LUO-POS-868e8996-5
0.798
MAT-POS-853c0ffa-4
0.706
MAT-POS-a334828f-2
0.706
RAL-THA-a9c31980-7
0.680
MAT-POS-853c0ffa-3
0.638
MAT-POS-a334828f-1
0.638
EDJ-MED-ce467fd5-3
0.566
EDJ-MED-015fb6b4-1
0.564
PET-UNK-7955f415-2
0.559
PET-UNK-7955f415-4
0.559
PET-UNK-7955f415-1
0.555
PET-UNK-7955f415-3
0.555
JOH-UNI-06d7cc04-1
0.554
EDG-MED-b1ef7fe3-2
0.554
EDJ-MED-b6c6ee2b-6
0.554
MAT-POS-e119ab4f-2
0.550
MAT-POS-c7726e07-3
0.550
MAT-POS-c7726e07-4
0.550
EDJ-MED-b2a1399d-3
0.500
EDJ-MED-923a35c2-4
0.495
MAT-POS-89bd6af1-3
0.486
MAT-UNK-28cf4d29-1
0.486
ALP-POS-e266d783-2
0.486
PET-UNK-14142a25-10
0.482
LUO-POS-9931618f-1
0.482
LUO-POS-9931618f-2
0.482
EDJ-MED-8bb691af-8
0.482
PET-UNK-14142a25-1
0.482
MIK-ENA-794411b8-1
0.482
MIK-ENA-37e0b697-1
0.482
MAT-POS-c88128cb-12
0.482
EDJ-MED-670ad2ee-11
0.477
EDJ-MED-841e0cf0-8
0.477
EDJ-MED-670ad2ee-12
0.477
EDG-MED-b1ef7fe3-3
0.471
DAR-DIA-9f765dc6-15
0.470
DAR-DIA-9f765dc6-13
0.470
DAR-DIA-9f765dc6-14
0.470
EDG-MED-b1ef7fe3-1
0.470
LUO-POS-8c3e556a-2
0.470
LUO-POS-8c3e556a-1
0.470
PET-UNK-14142a25-2
0.466
PET-UNK-14142a25-11
0.466
PET-UNK-9bf1291a-2
0.464
EDJ-MED-fd8ed875-5
0.463
MAT-POS-e119ab4f-5
0.461
LUO-POS-868e8996-1
0.461
LUO-POS-868e8996-2
0.461
MIK-ENA-d22671f7-1
0.461
MIK-ENA-e76e31f3-1
0.461
MIK-ENA-f5fe7855-1
0.461
JOH-UNI-06346b80-1
0.459
PET-UNK-b78139fa-16
0.459
MIC-UNK-eb20c3e1-2
0.455
PET-UNK-4c71d490-3
0.455
PET-UNK-4c71d490-7
0.455
LUO-POS-868e8996-8
0.454
MAT-POS-1bed62cf-2
0.454
EDJ-MED-3bfd841e-1
0.454
LUO-POS-868e8996-7
0.454
EDJ-MED-fd8ed875-3
0.454
PET-UNK-9bf1291a-4
0.453
MIC-UNK-e8d6fb58-2
0.453
PET-UNK-fe31e24a-7
0.452
PET-UNK-14142a25-13
0.451
PET-UNK-14142a25-4
0.451
MAT-POS-2e8b2191-5
0.450
PET-UNK-4d432d33-4
0.449
PET-UNK-4d432d33-8
0.449
PET-UNK-4d432d33-3
0.449
PET-UNK-4d432d33-7
0.449
PET-UNK-14142a25-15
0.447
PET-UNK-14142a25-6
0.447
EDJ-MED-8bb691af-7
0.445
MAT-POS-edabd372-2
0.443
PET-UNK-14142a25-8
0.443
PET-UNK-14142a25-17
0.443
MAT-POS-38eb6498-6
0.443
MAT-POS-ddfe83c6-1
0.443
EDJ-MED-a12e3a20-2
0.442
RAL-THA-176e263b-4
0.441
MAT-POS-22e8b45a-2
0.441
EDJ-MED-923a35c2-5
0.440
EDJ-MED-841e0cf0-3
0.440
EDJ-MED-670ad2ee-3
0.440
PET-UNK-4c71d490-1
0.439
PET-UNK-4c71d490-5
0.439
PET-UNK-4b4f2bb7-6
0.439
EDJ-MED-8bb691af-9
0.438
PET-UNK-b566c0b0-8
0.437
DAR-DIA-9f765dc6-17
0.437
DAR-DIA-9f765dc6-18
0.437
MAT-POS-c7726e07-2
0.437
DAR-DIA-9f765dc6-16
0.437
EDJ-MED-0186a59b-5
0.437
MAT-POS-e119ab4f-1
0.437