Molecular Properties | |
SMILES: | N#CCN1CC(C(=O)Nc2cncc3cc(Cl)ccc23)c2cc(Cl)ccc2C1=O |
MW: | 424.05 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 86.09 |
cLogP: | 4.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N-C-Hal or cyano methyl
cyanamide
PET-UNK-c671f938-2
1.000
PET-UNK-c671f938-1
0.814
PET-UNK-c671f938-5
0.814
EDJ-MED-41558c53-9
0.795
PET-UNK-c671f938-3
0.787
PET-UNK-c671f938-7
0.787
PET-UNK-c671f938-4
0.772
PET-UNK-c671f938-8
0.772
PET-UNK-4d432d33-2
0.767
PET-UNK-4d432d33-6
0.767
EDJ-MED-41558c53-11
0.759
EDJ-MED-0186a59b-6
0.742
LUO-POS-edefcc0e-1
0.742
EDJ-MED-41558c53-13
0.742
LUO-POS-74179f4f-1
0.742
PET-UNK-3324058f-2
0.713
PET-UNK-3324058f-6
0.713
EDG-MED-e300b289-1
0.710
EDJ-MED-41558c53-7
0.710
EDG-MED-e300b289-2
0.695
EDJ-MED-41558c53-5
0.695
EDG-MED-e300b289-3
0.688
PET-UNK-4d432d33-1
0.681
PET-UNK-4d432d33-5
0.681
EDJ-MED-41558c53-1
0.663
EDJ-MED-41558c53-10
0.639
EDJ-MED-41558c53-3
0.619
MAT-POS-c7726e07-2
0.616
MAT-POS-c7726e07-1
0.616
MAT-POS-e119ab4f-1
0.616
EDJ-MED-0186a59b-5
0.616
EDJ-MED-e69ed63d-7
0.614
EDJ-MED-e69ed63d-17
0.612
EDJ-MED-41558c53-12
0.610
PET-UNK-f860268d-5
0.606
PET-UNK-f860268d-2
0.606
EDJ-MED-41558c53-8
0.602
EDJ-MED-eb111c00-3
0.600
EDJ-MED-0186a59b-7
0.598
MAT-POS-2e8b2191-12
0.598
EDJ-MED-e69ed63d-11
0.598
MIC-UNK-482af05e-3
0.598
EDJ-MED-e69ed63d-15
0.596
EDJ-MED-e69ed63d-8
0.596
EDJ-MED-e69ed63d-13
0.596
EDJ-MED-e69ed63d-6
0.596
EDJ-MED-e69ed63d-1
0.592
EDJ-MED-e69ed63d-3
0.592
EDJ-MED-41558c53-14
0.592
MAT-POS-b4d6b7fc-2
0.590
PET-UNK-3324058f-1
0.590
PET-UNK-3324058f-5
0.590
MIC-UNK-482af05e-4
0.588
EDJ-MED-d165ed91-4
0.587
EDJ-MED-c99b2211-4
0.587
EDJ-MED-e69ed63d-12
0.587
RAL-THA-5e0a6f1a-1
0.586
EDJ-MED-e69ed63d-18
0.583
MAT-POS-a54ce14d-3
0.582
EDJ-MED-eb111c00-4
0.582
MAT-POS-acfe5bae-2
0.582
EDJ-MED-015fb6b4-2
0.582
MAT-POS-a54ce14d-2
0.582
EDJ-MED-e69ed63d-9
0.581
EDJ-MED-eb111c00-2
0.580
PET-UNK-3324058f-3
0.579
PET-UNK-3324058f-7
0.579
EDJ-MED-e69ed63d-14
0.579
EDJ-MED-e69ed63d-16
0.579
EDJ-MED-e69ed63d-2
0.575
ALP-POS-b3e0acc5-1
0.574
RAL-THA-a9c31980-1
0.574
LUO-POS-868e8996-3
0.574
LUO-POS-868e8996-4
0.574
EDJ-MED-d165ed91-3
0.574
EDJ-MED-e69ed63d-5
0.574
EDJ-MED-e69ed63d-4
0.570
MAT-POS-b4d6b7fc-4
0.570
PET-UNK-c7ac4d9e-1
0.570
PET-UNK-c7ac4d9e-2
0.570
PET-UNK-3324058f-4
0.568
PET-UNK-3324058f-8
0.568
RAL-THA-a9c31980-8
0.567
EDJ-MED-43f8f7d6-6
0.567
EDJ-MED-c99b2211-3
0.565
EDJ-MED-41558c53-6
0.565
RAL-THA-a9c31980-5
0.563
RAL-THA-a9c31980-6
0.563
EDJ-MED-e69ed63d-10
0.560
RAL-THA-a9c31980-4
0.559
EDJ-MED-c99b2211-2
0.559
JOH-UNI-6b98e24c-1
0.553
EDJ-MED-43f8f7d6-3
0.553
RAL-THA-a9c31980-3
0.553
EDJ-MED-43f8f7d6-4
0.553
PET-UNK-37251634-4
0.552
PET-UNK-37251634-11
0.552
PET-UNK-37251634-3
0.552
PET-UNK-37251634-12
0.552
PET-UNK-37251634-13
0.547