Molecular Properties | |
SMILES: | CC(C)(O)CN1CC(C(=O)Nc2cncc3cc(Cl)ccc23)c2cc(Cl)ccc2C1=O |
MW: | 457.1 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 82.53 |
cLogP: | 4.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-41558c53-12
0.802
EDJ-MED-41558c53-9
0.767
EDG-MED-e300b289-2
0.763
PET-UNK-c671f938-2
0.759
PET-UNK-c671f938-6
0.759
EDJ-MED-0186a59b-6
0.736
LUO-POS-edefcc0e-1
0.736
LUO-POS-74179f4f-1
0.736
EDJ-MED-41558c53-13
0.717
EDJ-MED-41558c53-5
0.708
EDJ-MED-41558c53-7
0.705
EDG-MED-e300b289-1
0.688
EDJ-MED-41558c53-1
0.677
PET-UNK-3324058f-2
0.673
PET-UNK-3324058f-6
0.673
EDG-MED-e300b289-3
0.667
EDJ-MED-41558c53-3
0.649
EDJ-MED-41558c53-10
0.636
EDJ-MED-e69ed63d-11
0.627
PET-UNK-c671f938-1
0.622
PET-UNK-c671f938-5
0.622
PET-UNK-c671f938-3
0.620
PET-UNK-c671f938-7
0.620
EDJ-MED-d165ed91-4
0.615
EDJ-MED-c99b2211-4
0.615
EDJ-MED-e69ed63d-12
0.615
MAT-POS-c7726e07-2
0.614
MAT-POS-c7726e07-1
0.614
MAT-POS-e119ab4f-1
0.614
EDJ-MED-0186a59b-5
0.614
EDJ-MED-e69ed63d-7
0.612
PET-UNK-c671f938-4
0.612
PET-UNK-c671f938-8
0.612
EDJ-MED-e69ed63d-17
0.610
EDJ-MED-41558c53-8
0.600
EDJ-MED-e69ed63d-18
0.596
EDJ-MED-0186a59b-7
0.596
MAT-POS-2e8b2191-12
0.596
EDJ-MED-e69ed63d-6
0.594
EDJ-MED-e69ed63d-8
0.594
EDJ-MED-e69ed63d-13
0.594
EDJ-MED-e69ed63d-1
0.590
EDJ-MED-e69ed63d-3
0.590
EDJ-MED-41558c53-14
0.590
MAT-POS-b4d6b7fc-2
0.589
RAL-THA-a9c31980-4
0.588
EDJ-MED-c99b2211-2
0.588
PET-UNK-f860268d-5
0.588
PET-UNK-f860268d-2
0.588
EDJ-MED-d165ed91-3
0.587
EDJ-MED-e69ed63d-5
0.587
EDJ-MED-e69ed63d-4
0.583
PET-UNK-4d432d33-6
0.582
PET-UNK-4d432d33-2
0.582
EDJ-MED-eb111c00-3
0.582
MAT-POS-a54ce14d-3
0.580
MIC-UNK-482af05e-3
0.580
EDJ-MED-eb111c00-4
0.580
MAT-POS-acfe5bae-2
0.580
EDJ-MED-015fb6b4-2
0.580
MAT-POS-a54ce14d-2
0.580
EDJ-MED-e69ed63d-15
0.579
EDJ-MED-e69ed63d-9
0.579
EDJ-MED-eb111c00-2
0.578
EDJ-MED-e69ed63d-14
0.578
EDJ-MED-e69ed63d-16
0.578
EDJ-MED-41558c53-6
0.578
PET-UNK-4d432d33-1
0.576
PET-UNK-4d432d33-5
0.576
EDJ-MED-e69ed63d-2
0.574
ALP-POS-b3e0acc5-1
0.573
RAL-THA-a9c31980-1
0.573
LUO-POS-868e8996-3
0.573
LUO-POS-868e8996-4
0.573
EDJ-MED-e69ed63d-10
0.573
MIC-UNK-482af05e-4
0.570
MAT-POS-b4d6b7fc-4
0.569
RAL-THA-5e0a6f1a-1
0.569
PET-UNK-c7ac4d9e-1
0.569
PET-UNK-c7ac4d9e-2
0.569
RAL-THA-a9c31980-8
0.566
EDJ-MED-43f8f7d6-6
0.566
PET-UNK-3324058f-3
0.564
PET-UNK-3324058f-7
0.564
EDJ-MED-c99b2211-3
0.564
RAL-THA-a9c31980-5
0.562
PET-UNK-3324058f-1
0.560
PET-UNK-3324058f-5
0.560
PET-UNK-37251634-1
0.557
PET-UNK-37251634-9
0.557
PET-UNK-3324058f-4
0.553
PET-UNK-3324058f-8
0.553
JOH-UNI-6b98e24c-1
0.552
EDJ-MED-43f8f7d6-3
0.552
RAL-THA-a9c31980-3
0.552
EDJ-MED-43f8f7d6-4
0.552
PET-UNK-37251634-6
0.551
PET-UNK-37251634-14
0.551
RAL-THA-a9c31980-6
0.547
EDJ-MED-d165ed91-1
0.547