Molecule Details
| Molecular Properties | |
| SMILES: | Cn1nncc1C(=O)N1CCc2ccc(Cl)cc2C1C(=O)Nc1cncc2ccccc12 |
| MW: | 446.13 |
| Fraction sp3: | 0.17 |
| HBA: | 6 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 93.01 |
| cLogP: | 3.4 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
EDJ-MED-036ae2e9-8
0.792
EDJ-MED-b774e9fe-1
0.720
EDJ-MED-2791eece-2
0.720
EDJ-MED-2791eece-12
0.705
EDJ-MED-036ae2e9-4
0.700
EDJ-MED-036ae2e9-2
0.698
EDJ-MED-036ae2e9-1
0.695
MAT-POS-fb82b63d-3
0.663
EDJ-MED-2791eece-4
0.653
EDJ-MED-036ae2e9-3
0.624
EDJ-MED-b774e9fe-2
0.610
EDJ-MED-2791eece-6
0.610
EDJ-MED-2791eece-8
0.608
EDJ-MED-b774e9fe-3
0.608
MAT-POS-fb82b63d-4
0.592
EDJ-MED-2791eece-10
0.592
EDJ-MED-2791eece-11
0.587
EDJ-MED-2791eece-3
0.585
EDJ-MED-036ae2e9-7
0.585
EDJ-MED-487c5e9f-10
0.583
EDJ-MED-2791eece-5
0.581
MAT-POS-4223bc15-37
0.578
EDJ-MED-2791eece-1
0.577
EDJ-MED-036ae2e9-10
0.575
EDJ-MED-036ae2e9-9
0.575
EDJ-MED-2791eece-7
0.570
EDJ-MED-036ae2e9-11
0.564
EDJ-MED-487c5e9f-9
0.561
EDJ-MED-2791eece-9
0.559
EDJ-MED-036ae2e9-12
0.559
EDJ-MED-487c5e9f-5
0.559
EDJ-MED-036ae2e9-6
0.550
EDJ-MED-487c5e9f-1
0.545
EDJ-MED-487c5e9f-6
0.545
EDJ-MED-487c5e9f-8
0.545
EDJ-MED-487c5e9f-3
0.544
EDJ-MED-487c5e9f-7
0.541
EDJ-MED-036ae2e9-5
0.540
ALP-POS-d054b76b-2
0.538
EDJ-MED-487c5e9f-11
0.536
EDJ-MED-487c5e9f-2
0.535
DAR-DIA-4987d2cd-3
0.523
EDJ-MED-487c5e9f-12
0.521
MAT-POS-fb82b63d-1
0.515
MIC-UNK-91acba05-4
0.500
DAR-DIA-4987d2cd-4
0.500
ALP-POS-477dc5b7-1
0.500
ALP-POS-d054b76b-4
0.487
MAT-POS-dd3ad2b5-1
0.486
BEN-DND-f2e727cd-6
0.486
MIC-UNK-45817b9b-2
0.486
MAT-POS-5cd9ea36-4
0.482
MAT-POS-4223bc15-40
0.479
CLI-TLC-3a13eaf2-1
0.478
MAT-POS-4223bc15-1
0.477
MAT-POS-24589f88-2
0.477
MAT-POS-24589f88-3
0.477
MAT-POS-dd3ad2b5-4
0.477
MAT-POS-4223bc15-27
0.473
RAL-THA-ee48ba5f-5
0.473
PET-UNK-d61f3ea6-2
0.473
MAT-POS-3ccb8ef6-1
0.472
MAT-POS-3ccb8ef6-2
0.472
MAR-UCB-6ab2ec87-6
0.472
MAT-POS-d8472c4f-5
0.472
BEN-DND-f2e727cd-5
0.472
MAT-POS-4223bc15-41
0.470
RAL-THA-ee48ba5f-4
0.469
PET-UNK-162c14b2-1
0.468
MAT-POS-61f37a1a-12
0.468
MAT-POS-43c25e9b-2
0.467
MIC-UNK-45817b9b-1
0.467
EDJ-MED-a6bd50ad-1
0.467
MAT-POS-43c25e9b-1
0.467
MAR-UCB-6ab2ec87-2
0.467
RAL-THA-ee48ba5f-2
0.466
MIC-UNK-89b52b17-5
0.465
MAT-POS-4223bc15-24
0.465
MAT-POS-4223bc15-6
0.464
EDJ-MED-e9a22d5d-1
0.464
RAL-THA-6e4c80cf-1
0.464
PET-UNK-9b23ef84-2
0.464
MAT-POS-4223bc15-19
0.464
MAT-POS-dd3ad2b5-2
0.464
EDG-MED-5d232de5-6
0.463
RAL-THA-8416115c-2
0.463
MIC-UNK-91acba05-6
0.463
EDG-MED-5d232de5-5
0.463
XIA-UNK-50bd045a-1
0.462
EDJ-MED-12c4873b-7
0.462
RAL-THA-952697e1-1
0.462
RAL-THA-952697e1-2
0.462
MAT-POS-4223bc15-28
0.461
MAT-POS-5cd9ea36-17
0.461
MAT-POS-8293a91a-5
0.460
MAT-POS-4223bc15-23
0.460
MAT-POS-4223bc15-26
0.460
MAT-POS-8293a91a-4
0.460
MIC-UNK-482af05e-2
0.460
MAT-POS-4223bc15-2
0.460