Molecular Properties | |
SMILES: | CNC(=O)CN1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)c(F)cc2C1=O |
MW: | 440.11 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 91.4 |
cLogP: | 2.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-ce467fd5-2
0.735
MAT-POS-acfe5bae-2
0.723
EDJ-MED-015fb6b4-2
0.723
MAT-POS-a54ce14d-3
0.723
MAT-POS-a54ce14d-2
0.723
DAR-DIA-9f765dc6-7
0.691
DAR-DIA-9f765dc6-8
0.691
DAR-DIA-9f765dc6-9
0.691
DAR-DIA-9f765dc6-10
0.663
DAR-DIA-9f765dc6-11
0.663
DAR-DIA-9f765dc6-12
0.663
EDJ-MED-c99b2211-2
0.627
RAL-THA-a9c31980-4
0.627
PET-UNK-f860268d-2
0.612
PET-UNK-f860268d-5
0.612
LUO-POS-868e8996-3
0.612
RAL-THA-a9c31980-1
0.612
LUO-POS-868e8996-4
0.612
MIC-UNK-54748b58-4
0.606
EDJ-MED-43f8f7d6-3
0.606
RAL-THA-a9c31980-3
0.606
JOH-UNI-6b98e24c-1
0.606
RAL-THA-a9c31980-5
0.600
EDJ-MED-c99b2211-1
0.594
PET-UNK-c7ac4d9e-1
0.592
RAL-THA-5e0a6f1a-1
0.592
PET-UNK-c7ac4d9e-2
0.592
EDJ-MED-43f8f7d6-4
0.590
MAT-POS-e119ab4f-1
0.590
EDJ-MED-0186a59b-5
0.590
MAT-POS-c7726e07-1
0.590
MAT-POS-c7726e07-2
0.590
PET-UNK-9b23ef84-3
0.590
RAL-THA-a9c31980-8
0.589
MAT-POS-c7726e07-3
0.587
MAT-POS-c7726e07-4
0.587
MAT-POS-e119ab4f-2
0.587
RAL-THA-a9c31980-6
0.585
RAL-THA-a9c31980-2
0.579
MIC-UNK-482af05e-4
0.578
EDJ-MED-43f8f7d6-6
0.574
LUO-POS-edefcc0e-1
0.573
MIC-UNK-482af05e-3
0.573
LUO-POS-74179f4f-1
0.573
EDJ-MED-0186a59b-6
0.573
RAL-THA-a9c31980-9
0.569
MAT-POS-64942dd0-3
0.563
PET-UNK-4d432d33-6
0.559
EDJ-MED-eb111c00-3
0.559
PET-UNK-4d432d33-2
0.559
EDJ-MED-eb111c00-4
0.558
PET-UNK-4d432d33-1
0.553
PET-UNK-4d432d33-5
0.553
ALP-POS-b3e0acc5-1
0.551
MAT-POS-4223bc15-23
0.548
MAT-POS-8293a91a-5
0.548
MAT-POS-8293a91a-4
0.548
EDJ-MED-cf877e1d-1
0.547
RAL-THA-8416115c-10
0.543
EDJ-MED-eb111c00-2
0.542
EDJ-MED-eb111c00-1
0.540
MIC-UNK-91acba05-2
0.540
MAT-POS-2e8b2191-7
0.538
ALP-POS-fe871b40-10
0.535
ALP-UNI-ba800595-2
0.535
MIC-UNK-54748b58-3
0.533
MAT-POS-2e8b2191-12
0.532
EDJ-MED-0186a59b-7
0.532
EDJ-MED-827e7cb4-3
0.527
EDJ-MED-ce467fd5-1
0.527
MAT-POS-b4d6b7fc-2
0.526
EDJ-MED-75baa495-3
0.523
MAT-POS-97ec4bd1-4
0.523
JOH-UNI-d2a12aa9-2
0.522
PET-UNK-c6bcc80b-3
0.522
PET-UNK-c6bcc80b-10
0.522
RAL-THA-05e671eb-10
0.520
ALP-POS-fe871b40-9
0.520
MAT-POS-a13804f0-3
0.520
ALP-POS-d91e0300-1
0.520
MAT-POS-a13804f0-2
0.520
MIC-UNK-54748b58-1
0.519
PET-UNK-37251634-10
0.518
PET-UNK-37251634-2
0.518
PET-UNK-9b23ef84-10
0.518
ALP-POS-fe871b40-15
0.515
EDJ-MED-43f8f7d6-1
0.514
LUO-POS-3f66b338-1
0.514
EDJ-MED-12c4873b-4
0.514
EDJ-MED-cc48ee33-6
0.513
BEN-DND-34fc7f90-8
0.510
RAL-THA-05e671eb-11
0.510
BEN-DND-a02b439d-15
0.510
ALP-UNI-3735e77e-3
0.510
RAL-THA-6e4c80cf-1
0.510
MAT-POS-4223bc15-19
0.510
PET-UNK-1b92fa34-3
0.510
MAT-POS-dd3ad2b5-5
0.509
JOH-UNI-6b98e24c-2
0.509
PET-UNK-37251634-9
0.509