Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccc(F)cc12)[C@@H]1COc2ccc(Cl)cc21 |
MW: | 342.06 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALF-EVA-ced740bd-3
0.797
EDG-MED-5d232de5-1
0.738
ALP-POS-696356e4-1
0.738
ALP-POS-ce760d3f-7
0.738
EDG-MED-5d232de5-2
0.738
ERI-UCB-b3e6b0c2-1
0.720
MAT-POS-f7918075-2
0.718
MAT-POS-bbbbc21a-2
0.718
EDJ-MED-12c115cc-2
0.718
EDJ-MED-12c115cc-1
0.718
ERI-UCB-b3e6b0c2-7
0.674
ERI-UCB-b3e6b0c2-6
0.628
ERI-UCB-b3e6b0c2-10
0.609
EDJ-MED-611d11e7-6
0.602
MAT-POS-ec6d90b7-7
0.602
MAT-POS-96f51285-5
0.602
ALF-EVA-ced740bd-4
0.595
ALF-EVA-a24cc7ce-1
0.593
ALF-EVA-a24cc7ce-4
0.586
PET-UNK-2c6614b6-6
0.584
PET-UNK-b78139fa-7
0.580
ERI-UCB-b3e6b0c2-15
0.568
ALF-EVA-5b152d2f-3
0.568
ALF-EVA-5b152d2f-2
0.567
BEN-DND-c852c98b-4
0.562
EDJ-MED-ba7e64f2-1
0.562
MAK-UNK-8be7dca9-7
0.560
PET-UNK-1b92fa34-2
0.560
ERI-UCB-8d4e5055-4
0.554
MAT-POS-8293a91a-3
0.554
BEN-DND-c852c98b-5
0.554
EDJ-MED-841e0cf0-6
0.552
EDJ-MED-670ad2ee-7
0.552
EDJ-MED-670ad2ee-8
0.552
PET-UNK-03fd2068-1
0.549
BEN-DND-c852c98b-7
0.548
BEN-DND-c852c98b-2
0.547
PET-UNK-03fd2068-3
0.543
RAL-THA-b9d6aec1-3
0.543
EDJ-MED-841e0cf0-5
0.542
EDJ-MED-670ad2ee-5
0.542
EDJ-MED-670ad2ee-6
0.542
JAG-UCB-a3ef7265-3
0.541
ALP-POS-82da25a3-2
0.538
PET-UNK-ee8352fa-4
0.538
MAT-POS-f9802937-7
0.538
BEN-DND-c852c98b-3
0.538
BEN-DND-c852c98b-6
0.537
ERI-UCB-b3e6b0c2-14
0.535
MAT-POS-b3e365b9-2
0.533
VLA-UCB-1dbca3b4-15
0.533
MAT-POS-b3e365b9-1
0.533
MAT-POS-f7918075-1
0.533
BEN-DND-c852c98b-1
0.532
RAL-THA-b9d6aec1-1
0.531
BEN-DND-4f474d93-2
0.527
ALP-POS-ce760d3f-3
0.527
MAK-UNK-8be7dca9-8
0.526
ALF-EVA-5b152d2f-7
0.526
PET-UNK-162c14b2-2
0.526
EDJ-MED-841e0cf0-7
0.526
EDJ-MED-670ad2ee-9
0.526
EDJ-MED-670ad2ee-10
0.526
MAT-POS-c7726e07-3
0.525
MAT-POS-e119ab4f-2
0.525
MAT-POS-c7726e07-4
0.525
EDJ-MED-009f762b-5
0.520
ALF-EVA-5b152d2f-1
0.516
PET-UNK-1b92fa34-4
0.516
RAL-THA-b9d6aec1-2
0.515
WIL-UCB-7ba4ac3a-1
0.511
PET-UNK-ee8352fa-5
0.510
ALF-EVA-a24cc7ce-8
0.505
MAT-POS-419aafdb-2
0.505
MAK-UNK-8be7dca9-4
0.505
EDJ-MED-611d11e7-5
0.500
MIC-UNK-7574fcc6-2
0.500
MAT-POS-419aafdb-1
0.500
MAT-POS-ec6d90b7-5
0.500
PET-UNK-b38839dc-4
0.500
ALP-UNI-8d415491-6
0.500
MAT-POS-64942dd0-2
0.495
PET-UNK-03fd2068-5
0.495
ALP-POS-ce760d3f-5
0.495
MAT-POS-61f37a1a-13
0.491
EDJ-MED-009f762b-4
0.491
ALF-EVA-5b152d2f-8
0.490
PET-UNK-c0891748-4
0.489
PET-UNK-c0891748-10
0.489
MAT-POS-2e8b2191-3
0.489
JAG-UCB-c61058a9-5
0.488
RUB-POS-1325a9ea-10
0.485
BEN-DND-4f474d93-1
0.484
BEN-DND-4f474d93-3
0.484
ALP-POS-ce760d3f-2
0.484
MAT-POS-61f37a1a-5
0.481
EDJ-MED-009f762b-3
0.481
MAT-POS-24589f88-16
0.481
MAT-POS-81ae2990-3
0.481
EDJ-MED-009f762b-1
0.481