Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccc(F)cc12)C1COc2ccc(F)cc21 |
MW: | 326.09 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 3.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-f7918075-2
MAR-UCB-6ab2ec87-5
0.797
ALF-EVA-ced740bd-4
0.747
EDG-MED-5d232de5-1
0.600
ALP-POS-ce760d3f-7
0.600
EDG-MED-5d232de5-2
0.600
ALP-POS-696356e4-1
0.600
EDJ-MED-611d11e7-6
0.568
MAT-POS-96f51285-5
0.568
MAT-POS-ec6d90b7-7
0.568
ERI-UCB-b3e6b0c2-1
0.568
EDJ-MED-12c115cc-1
0.560
EDJ-MED-12c115cc-2
0.560
MAT-POS-f7918075-2
0.560
MAT-POS-bbbbc21a-2
0.560
RAL-THA-05e671eb-4
0.552
ADA-UCB-dc2b944c-7
0.552
ERI-UCB-b3e6b0c2-7
0.537
ERI-UCB-b3e6b0c2-6
0.500
PET-UNK-b78139fa-7
0.495
PET-UNK-1b92fa34-4
0.484
MAT-POS-ec6d90b7-5
0.484
ALP-UNI-8d415491-6
0.484
PET-UNK-2c6614b6-6
0.484
EDJ-MED-611d11e7-5
0.484
PET-UNK-1b92fa34-2
0.479
ERI-UCB-b3e6b0c2-10
0.473
EDJ-MED-670ad2ee-5
0.465
MAT-POS-64942dd0-2
0.465
EDJ-MED-841e0cf0-5
0.465
PET-UNK-03fd2068-5
0.465
EDJ-MED-670ad2ee-6
0.465
PET-UNK-03fd2068-3
0.464
EDJ-MED-841e0cf0-6
0.460
EDJ-MED-670ad2ee-7
0.460
EDJ-MED-670ad2ee-8
0.460
EDJ-MED-1b5395f9-4
0.459
EDJ-MED-1b5395f9-5
0.459
EDJ-MED-1b5395f9-6
0.459
EDG-MED-9fc99cca-1
0.457
ALF-EVA-a24cc7ce-1
0.457
ALF-EVA-5b152d2f-2
0.453
ALF-EVA-5b152d2f-3
0.452
ALF-EVA-a24cc7ce-4
0.452
EDJ-MED-841e0cf0-7
0.450
EDJ-MED-670ad2ee-9
0.450
EDJ-MED-670ad2ee-10
0.450
PET-UNK-162c14b2-2
0.450
MAK-UNK-8be7dca9-7
0.448
BEN-DND-c852c98b-4
0.447
EDJ-MED-ba7e64f2-1
0.447
EDJ-MED-009f762b-5
0.447
ERI-UCB-b3e6b0c2-15
0.446
BEN-DND-c852c98b-5
0.443
ERI-UCB-8d4e5055-4
0.443
MAT-POS-8293a91a-3
0.443
BEN-DND-c852c98b-2
0.440
BEN-DND-c852c98b-7
0.439
PET-UNK-03fd2068-1
0.438
MAT-POS-c7726e07-3
0.437
MAT-POS-c7726e07-4
0.437
MAT-POS-e119ab4f-2
0.437
RAL-THA-b9d6aec1-3
0.434
ALP-POS-ce760d3f-5
0.432
EDJ-MED-611d11e7-3
0.430
BEN-DND-c852c98b-6
0.430
MAT-POS-96f51285-4
0.430
BEN-DND-c852c98b-3
0.429
ALP-POS-82da25a3-2
0.429
MAT-POS-f9802937-7
0.429
PET-UNK-ee8352fa-4
0.429
RAL-THA-05e671eb-11
0.427
ALP-UNI-3735e77e-3
0.427
BEN-DND-c852c98b-1
0.424
EDJ-MED-009f762b-4
0.422
MAT-POS-61f37a1a-13
0.422
ROB-UNI-6ee2df8c-1
0.421
RAL-THA-05e671eb-13
0.421
MAT-POS-b3e365b9-2
0.421
MAT-POS-f7918075-1
0.421
MAT-POS-b3e365b9-1
0.421
VLA-UCB-1dbca3b4-15
0.421
ALF-EVA-5b152d2f-7
0.420
MAK-UNK-8be7dca9-8
0.420
ERI-UCB-b3e6b0c2-14
0.419
MAK-UNK-8be7dca9-4
0.419
RAL-THA-05e671eb-6
0.418
WIL-UCB-7ba4ac3a-1
0.418
MAT-POS-419aafdb-2
0.417
ALP-POS-ce760d3f-3
0.417
BEN-DND-4f474d93-2
0.417
EDJ-MED-611d11e7-9
0.416
MAT-POS-96f51285-3
0.416
EDJ-MED-009f762b-1
0.413
MAT-POS-24589f88-16
0.413
MAT-POS-81ae2990-3
0.413
RAL-THA-b9d6aec1-2
0.412
RAL-THA-b9d6aec1-1
0.412
PET-UNK-bcc8fd08-2
0.412
MAT-POS-a5ef2d74-2
0.410
MAT-POS-ec6d90b7-4
0.410