Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)N(CCC1CCCO1)c1cccc(Cl)c1 |
MW: | 395.14 |
Fraction sp3: | 0.27 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 54.46 |
cLogP: | 5.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-bcd487e9-4
0.767
MIC-UNK-cdc2493e-1
0.733
VLA-UCB-05e51b3f-14
0.716
EDJ-MED-c314995a-1
0.716
MIC-UNK-cdc2493e-15
0.692
MIC-UNK-cdc2493e-23
0.644
MIC-UNK-cdc2493e-19
0.644
ADA-UCB-dc2b944c-6
0.635
MIC-UNK-cdc2493e-3
0.626
MIC-UNK-bcd487e9-3
0.626
MIC-UNK-cdc2493e-16
0.624
MIC-UNK-bcd487e9-2
0.613
VLA-UCB-34f3ed0c-13
0.611
MIC-UNK-cdc2493e-24
0.606
MIC-UNK-bcd487e9-6
0.600
MIC-UNK-bcd487e9-5
0.591
MIC-UNK-cdc2493e-22
0.588
MIC-UNK-bcd487e9-1
0.576
ADA-UCB-dc2b944c-18
0.550
MIC-UNK-bcd487e9-10
0.546
VLA-UCB-34f3ed0c-6
0.545
MIC-UNK-bcd487e9-7
0.541
MIC-UNK-bcd487e9-8
0.541
MIC-UNK-bcd487e9-9
0.535
MIC-UNK-cdc2493e-17
0.520
MIC-UNK-cdc2493e-4
0.515
MIC-UNK-cdc2493e-5
0.515
MIC-UNK-cdc2493e-11
0.510
VLA-UCB-34f3ed0c-7
0.510
MAK-UNK-c749d764-22
0.509
MAK-UNK-ffc90da7-4
0.509
ADA-UCB-dc2b944c-17
0.505
PET-UNK-a17c93d1-1
0.505
MIC-UNK-cdc2493e-6
0.500
MIC-UNK-cdc2493e-12
0.500
MIC-UNK-cdc2493e-8
0.495
MIC-UNK-cdc2493e-20
0.495
ADA-UCB-dc2b944c-3
0.490
MIC-UNK-cdc2493e-7
0.490
MIC-UNK-cdc2493e-18
0.490
ADA-UCB-dc2b944c-2
0.486
MIC-UNK-cdc2493e-9
0.485
MIC-UNK-cdc2493e-21
0.485
ALF-EVA-650655fc-1
0.481
MIC-UNK-cdc2493e-13
0.481
MIC-UNK-cdc2493e-10
0.481
MIC-UNK-d36ab305-5
0.480
FRA-DIA-13af2da5-1
0.480
ALF-EVA-650655fc-2
0.477
VLA-UCB-34f3ed0c-5
0.476
EDJ-MED-cf4b0d25-3
0.476
ALF-EVA-650655fc-7
0.475
MIC-UNK-cdc2493e-14
0.472
MIC-UNK-d36ab305-2
0.470
ALF-EVA-650655fc-3
0.469
ALF-EVA-650655fc-6
0.466
MAT-POS-53907a1c-3
0.461
MAT-POS-136e7878-1
0.455
NAU-LAT-2fed8305-2
0.453
ALP-POS-f13221e1-3
0.447
ADA-UCB-6c2cb422-1
0.446
NAU-LAT-2fed8305-7
0.443
ALP-POS-3b848b35-4
0.439
MIC-UNK-c66144cb-3
0.439
ALF-EVA-650655fc-8
0.433
RYA-UNI-14580791-1
0.433
ALF-EVA-650655fc-4
0.430
MAT-POS-173a45da-1
0.429
ALF-EVA-5b152d2f-1
0.429
MIC-UNK-5a93dd5f-1
0.429
MIC-UNK-5a93dd5f-2
0.429
RAL-THA-05e671eb-3
0.427
JOR-UNI-2fc98d0b-8
0.427
MAT-UCB-93f6aed8-2
0.426
JOH-UNI-ee5ed7c8-6
0.426
JOH-UNI-3fc3434e-6
0.426
MIC-UNK-5a93dd5f-8
0.425
ALP-POS-f13221e1-2
0.423
ALP-POS-ddb41b15-6
0.421
EDJ-MED-cf4b0d25-4
0.420
PET-UNK-1320d94d-21
0.420
PET-UNK-1320d94d-22
0.420
VLA-UNK-9a7dc93f-7
0.418
RAL-THA-2d450e86-27
0.417
NAU-LAT-2fed8305-1
0.417
NAU-LAT-2fed8305-9
0.415
MAT-POS-b3e365b9-1
0.413
MAT-POS-b3e365b9-2
0.413
PET-UNK-c5865d42-1
0.413
VLA-UCB-1dbca3b4-15
0.413
MAT-POS-f7918075-1
0.413
MIC-UNK-5a93dd5f-6
0.413
MIC-UNK-5a93dd5f-9
0.413
VLA-UNK-b9c208fe-2
0.411
PET-UNK-bb7ffe78-3
0.410
EDJ-MED-ee07cf00-4
0.409
MAT-POS-fce787c2-2
0.409
PET-UNK-bb7ffe78-1
0.408
EDJ-MED-ee07cf00-9
0.407
PET-UNK-c0891748-10
0.406