Molecular Properties | |
SMILES: | O=C(C1CCOc2ccc(Cl)cc21)N(CCNC1CNC1)c1cncc2ccccc12 |
MW: | 436.17 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 66.49 |
cLogP: | 3.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
VLA-UCB-1dbca3b4-15
VLA-UNK-5c5a631c-2
0.737
MAK-UNK-83e0a0b4-4
0.725
VLA-UNK-5c5a631c-1
0.679
MAK-UNK-83e0a0b4-2
0.678
VLA-UNK-4b5c0188-1
0.667
ALP-UNI-44c99a80-3
0.667
DAR-DIA-5ff57136-13
0.667
DAR-DIA-5ff57136-17
0.648
ALP-UNI-44c99a80-2
0.645
VLA-UCB-05e51b3f-9
0.637
VLA-UCB-50c39ae8-6
0.637
VLA-UCB-05e51b3f-4
0.608
VLA-UCB-50c39ae8-1
0.608
WIL-UCB-7ba4ac3a-2
0.604
MAK-UNK-3875bbc8-2
0.604
VLA-UCB-05e51b3f-10
0.600
VLA-UCB-50c39ae8-7
0.600
MAT-POS-090737b9-1
0.600
PET-UNK-064639eb-3
0.596
PET-UNK-064639eb-6
0.596
VLA-UNK-5c5a631c-3
0.589
JOH-UNI-ea72002d-7
0.583
DAR-DIA-5ff57136-11
0.583
DAR-DIA-5ff57136-14
0.579
VLA-UCB-34f3ed0c-1
0.578
VLA-UCB-34f3ed0c-19
0.578
VLA-UCB-34f3ed0c-20
0.573
JOH-UNI-ea72002d-6
0.573
DAR-DIA-5ff57136-15
0.569
MAT-POS-9db1e783-3
0.566
DAR-DIA-5ff57136-9
0.566
DAR-DIA-5ff57136-19
0.566
DAR-DIA-5ff57136-18
0.565
JOH-UNI-ea72002d-1
0.564
DAR-DIA-5ff57136-10
0.564
DAR-DIA-5ff57136-16
0.555
VLA-UCB-50c39ae8-4
0.542
VLA-UCB-05e51b3f-7
0.542
DAR-DIA-5ff57136-12
0.538
JOH-UNI-21fd6073-3
0.514
NIR-THE-5be8b355-1
0.508
ALP-POS-a0a4abd7-6
0.508
MAK-UNK-83e0a0b4-1
0.508
ALP-POS-a0a4abd7-8
0.496
VLA-UCB-1dbca3b4-15
0.495
MAT-POS-f7918075-1
0.495
MAT-POS-b3e365b9-2
0.495
MAT-POS-b3e365b9-1
0.495
JOH-UNI-21fd6073-4
0.487
ALP-POS-a0a4abd7-9
0.484
ALF-EVA-5b152d2f-4
0.482
ALP-POS-a0a4abd7-7
0.481
DAR-DIA-6a508060-1
0.477
NIR-WEI-acbd6416-2
0.468
FRA-DIA-a1f3a927-1
0.468
ALP-POS-6d96567b-2
0.464
DAR-DIA-6a508060-2
0.464
JOH-UNI-21fd6073-2
0.462
NIR-THE-47736cde-1
0.460
MAT-POS-e69ad64a-2
0.460
NIR-THE-47736cde-2
0.460
ALF-EVA-a24cc7ce-2
0.459
NIR-THE-2069301b-1
0.456
MAK-UNK-3875bbc8-1
0.450
NIR-THE-af15c15d-1
0.448
ADA-UCB-dc2b944c-10
0.439
DAR-DIA-b4e9dd8d-1
0.438
DAR-DIA-b4e9dd8d-3
0.438
DAR-DIA-b4e9dd8d-6
0.438
JOH-UNI-21fd6073-1
0.435
MAT-POS-8293a91a-3
0.435
JOH-UNI-ea72002d-3
0.433
ALF-EVA-5b152d2f-1
0.430
JOH-UNI-1b27fa5e-2
0.430
JOH-UNI-f51e3bbc-4
0.427
MAK-UNK-3875bbc8-3
0.427
JOH-UNI-ea72002d-4
0.426
ADA-UCB-dc2b944c-9
0.426
JOH-UNI-f51e3bbc-3
0.426
ALP-POS-696356e4-1
0.425
ALP-POS-ce760d3f-7
0.425
EDG-MED-5d232de5-1
0.425
EDG-MED-5d232de5-2
0.425
ALF-EVA-5b152d2f-6
0.422
PET-UNK-ee8352fa-4
0.422
BEN-DND-c852c98b-1
0.419
BEN-DND-d1eb1f41-17
0.415
MAK-UNK-8be7dca9-8
0.415
MAK-UNK-8be7dca9-4
0.415
PET-UNK-158bee2a-5
0.414
VLA-UNK-0ffe3317-7
0.414
ERI-UCB-8d4e5055-2
0.413
MAT-POS-8695a11f-2
0.413
ALP-POS-ce760d3f-3
0.412
EDJ-MED-ba7e64f2-1
0.412
BEN-DND-c852c98b-4
0.412
BEN-DND-4f474d93-2
0.412
ALP-POS-82da25a3-2
0.410
BEN-DND-c852c98b-3
0.410
ALF-EVA-a24cc7ce-6
0.409