Molecular Properties | |
SMILES: | N#CCN1C[C@@H](C(=O)Nc2cncc3cc(F)ccc23)c2cc(Cl)ccc2C1=O |
MW: | 408.08 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 86.09 |
cLogP: | 3.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N-C-Hal or cyano methyl
cyanamide
PET-UNK-c671f938-5
1.000
PET-UNK-c671f938-2
0.814
PET-UNK-c671f938-6
0.814
EDJ-MED-0186a59b-5
0.766
MAT-POS-e119ab4f-1
0.766
MAT-POS-c7726e07-2
0.766
MAT-POS-c7726e07-1
0.766
EDJ-MED-e69ed63d-11
0.742
EDJ-MED-e69ed63d-7
0.742
PET-UNK-c671f938-3
0.737
PET-UNK-c671f938-7
0.737
PET-UNK-4d432d33-6
0.736
PET-UNK-4d432d33-2
0.736
EDJ-MED-e69ed63d-1
0.735
EDJ-MED-e69ed63d-3
0.735
PET-UNK-3324058f-1
0.730
PET-UNK-3324058f-5
0.730
EDJ-MED-e69ed63d-6
0.720
EDJ-MED-e69ed63d-13
0.720
EDJ-MED-e69ed63d-15
0.720
EDJ-MED-e69ed63d-17
0.720
EDJ-MED-e69ed63d-9
0.720
PET-UNK-c671f938-8
0.707
PET-UNK-c671f938-4
0.707
PET-UNK-4d432d33-5
0.656
PET-UNK-4d432d33-1
0.656
EDJ-MED-41558c53-9
0.649
EDJ-MED-0186a59b-6
0.626
LUO-POS-edefcc0e-1
0.626
LUO-POS-74179f4f-1
0.626
EDJ-MED-41558c53-11
0.622
EDJ-MED-41558c53-13
0.610
PET-UNK-f860268d-5
0.602
PET-UNK-f860268d-2
0.602
EDG-MED-e300b289-1
0.602
MIC-UNK-482af05e-4
0.600
MAT-POS-e119ab4f-2
0.592
MAT-POS-c7726e07-3
0.592
MAT-POS-c7726e07-4
0.592
ALP-POS-6f6ae286-1
0.592
PET-UNK-7279c968-5
0.592
EDG-MED-e300b289-2
0.590
PET-UNK-3324058f-6
0.590
PET-UNK-3324058f-2
0.590
EDJ-MED-41558c53-7
0.587
EDJ-MED-41558c53-10
0.587
EDG-MED-e300b289-3
0.585
PET-UNK-03fd2068-4
0.584
EDJ-MED-ede277f6-4
0.583
RAL-THA-5e0a6f1a-1
0.583
EDJ-MED-eb111c00-3
0.580
MAT-POS-2e8b2191-12
0.579
EDJ-MED-0186a59b-7
0.579
MAT-POS-a54ce14d-3
0.578
MIC-UNK-482af05e-3
0.578
EDJ-MED-015fb6b4-2
0.578
MAT-POS-a54ce14d-2
0.578
MAT-POS-acfe5bae-2
0.578
EDJ-MED-41558c53-5
0.575
EDJ-MED-41558c53-12
0.575
EDJ-MED-d165ed91-4
0.569
EDJ-MED-e69ed63d-12
0.569
EDJ-MED-c99b2211-4
0.569
PET-UNK-c7ac4d9e-1
0.567
PET-UNK-c7ac4d9e-2
0.567
EDJ-MED-0186a59b-1
0.566
ALP-POS-6f6ae286-5
0.566
EDJ-MED-7889e8da-1
0.566
BEN-DND-f06bfa8e-2
0.566
PET-UNK-37251634-7
0.565
PET-UNK-37251634-15
0.565
EDJ-MED-e69ed63d-8
0.564
EDJ-MED-be9e6f63-2
0.564
EDJ-MED-7889e8da-2
0.564
PET-UNK-ff046148-3
0.564
EDJ-MED-eb111c00-4
0.563
EDJ-MED-ede277f6-1
0.562
EDJ-MED-41558c53-14
0.560
ALP-POS-6f6ae286-6
0.560
BEN-DND-f06bfa8e-3
0.560
EDJ-MED-e69ed63d-2
0.559
MAT-POS-b4d6b7fc-2
0.559
RAL-THA-a9c31980-1
0.557
EDJ-MED-c99b2211-2
0.557
RAL-THA-a9c31980-4
0.557
LUO-POS-868e8996-4
0.557
LUO-POS-868e8996-3
0.557
PET-UNK-ff046148-4
0.556
EDJ-MED-41558c53-8
0.555
EDJ-MED-e69ed63d-4
0.554
MAT-POS-b4d6b7fc-4
0.554
EDJ-MED-e69ed63d-18
0.553
EDJ-MED-43f8f7d6-3
0.551
EDJ-MED-43f8f7d6-4
0.551
JOH-UNI-6b98e24c-1
0.551
RAL-THA-a9c31980-3
0.551
PET-UNK-37251634-4
0.550
PET-UNK-ff046148-2
0.550
PET-UNK-37251634-12
0.550
RAL-THA-a9c31980-8
0.550