Molecular Properties | |
SMILES: | Cn1nccc1CN1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2C1=O |
MW: | 445.13 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 80.12 |
cLogP: | 4.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-4223bc15-40
PET-UNK-37251634-10
0.735
PET-UNK-37251634-2
0.735
PET-UNK-37251634-6
0.718
PET-UNK-37251634-14
0.718
EDJ-MED-eb111c00-3
0.711
PET-UNK-4d432d33-6
0.711
PET-UNK-4d432d33-2
0.711
PET-UNK-37251634-8
0.709
PET-UNK-37251634-9
0.709
PET-UNK-37251634-16
0.709
PET-UNK-37251634-1
0.709
PET-UNK-37251634-3
0.702
PET-UNK-37251634-7
0.702
PET-UNK-37251634-11
0.702
PET-UNK-37251634-15
0.702
PET-UNK-f860268d-2
0.701
PET-UNK-f860268d-5
0.701
PET-UNK-37251634-5
0.695
PET-UNK-37251634-13
0.695
PET-UNK-d62a9a75-1
0.695
PET-UNK-d62a9a75-3
0.695
PET-UNK-d62a9a75-2
0.695
PET-UNK-d62a9a75-4
0.695
MAT-POS-a54ce14d-2
0.690
MIC-UNK-482af05e-3
0.690
MAT-POS-acfe5bae-2
0.690
MAT-POS-a54ce14d-3
0.690
EDJ-MED-015fb6b4-2
0.690
EDJ-MED-eb111c00-4
0.690
PET-UNK-4d432d33-5
0.687
PET-UNK-4d432d33-1
0.687
EDJ-MED-eb111c00-2
0.686
PET-UNK-37251634-12
0.686
PET-UNK-37251634-4
0.686
MIC-UNK-482af05e-4
0.680
ALP-POS-b3e0acc5-1
0.680
RAL-THA-5e0a6f1a-1
0.676
PET-UNK-c7ac4d9e-2
0.676
PET-UNK-c7ac4d9e-1
0.676
RAL-THA-a9c31980-4
0.663
RAL-THA-a9c31980-1
0.663
EDJ-MED-c99b2211-2
0.663
LUO-POS-868e8996-3
0.663
LUO-POS-868e8996-4
0.663
MIC-UNK-91acba05-2
0.660
EDJ-MED-eb111c00-1
0.660
EDJ-MED-43f8f7d6-3
0.657
RAL-THA-a9c31980-3
0.657
JOH-UNI-6b98e24c-1
0.657
RAL-THA-a9c31980-5
0.651
EDJ-MED-c99b2211-1
0.645
EDJ-MED-cc48ee33-1
0.645
EDJ-MED-43f8f7d6-4
0.642
EDJ-MED-43f8f7d6-6
0.639
RAL-THA-a9c31980-6
0.636
RAL-THA-a9c31980-2
0.630
RAL-THA-a9c31980-8
0.624
RAL-THA-a9c31980-9
0.618
EDJ-MED-0047eae5-1
0.612
EDJ-MED-12c4873b-4
0.594
MAT-POS-acfe5bae-3
0.594
LUO-POS-3f66b338-1
0.594
EDJ-MED-43f8f7d6-1
0.594
EDJ-MED-0047eae5-2
0.589
JOH-UNI-6b98e24c-2
0.587
EDJ-MED-12c4873b-8
0.583
RAL-THA-8f106089-3
0.583
MAT-POS-e2d70d27-1
0.583
EDJ-MED-12c4873b-6
0.583
EDJ-MED-43f8f7d6-7
0.583
EDJ-MED-43f8f7d6-8
0.583
RAL-THA-8f106089-4
0.583
RAL-THA-8f106089-2
0.583
RAL-THA-8f106089-1
0.583
PET-UNK-8f269638-2
0.577
PET-UNK-8f269638-1
0.577
EDJ-MED-43f8f7d6-2
0.573
LUO-POS-8701f4c8-1
0.573
EDJ-MED-12c4873b-2
0.573
EDJ-MED-968bafd9-1
0.570
EDJ-MED-41558c53-5
0.562
ALP-POS-c56c1477-3
0.561
EDJ-MED-41558c53-9
0.552
ALP-POS-a577c8a2-2
0.552
LUO-POS-edefcc0e-1
0.550
EDJ-MED-0186a59b-6
0.550
LUO-POS-74179f4f-1
0.550
PET-UNK-3324058f-2
0.549
PET-UNK-3324058f-6
0.549
PET-UNK-c671f938-6
0.547
PET-UNK-c671f938-2
0.547
MAT-POS-acfe5bae-4
0.547
TET-ENA-df1c4375-1
0.547
MAR-UCB-6ab2ec87-6
0.544
EDJ-MED-0186a59b-5
0.540
MAT-POS-c7726e07-1
0.540
MAT-POS-c7726e07-2
0.540
MAT-POS-e119ab4f-1
0.540
MAT-POS-22e8b45a-1
0.538
MAT-POS-865c3497-2
0.538