Molecular Properties | |
SMILES: | COC1(C(=O)Nc2cncc3ccc(Cl)cc23)CCCOc2ccc(Cl)cc21 |
MW: | 416.07 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 60.45 |
cLogP: | 5.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-a5ef2d74-2
0.700
MAT-POS-ec6d90b7-4
0.700
EDJ-MED-611d11e7-4
0.700
EDJ-MED-611d11e7-7
0.677
MAT-POS-96f51285-1
0.677
MAT-POS-24589f88-1
0.677
PET-UNK-ee8352fa-1
0.677
MAT-POS-96f51285-2
0.670
EDJ-MED-611d11e7-1
0.670
ALF-EVA-82cf4849-3
0.667
ALP-POS-93b3621f-3
0.656
EDJ-MED-d08626de-1
0.652
PET-UNK-29afea89-2
0.652
EDG-MED-0e5afe9d-3
0.652
EDJ-MED-d08626de-2
0.652
ALF-EVA-82cf4849-8
0.649
EDG-MED-10fcb19e-1
0.643
EDG-MED-10fcb19e-3
0.643
ALF-EVA-82cf4849-11
0.643
PET-UNK-a7639856-1
0.643
ALF-EVA-82cf4849-13
0.636
EDG-MED-10fcb19e-5
0.630
EDJ-MED-611d11e7-10
0.628
MAT-POS-a5ef2d74-3
0.628
PET-UNK-f4e47ebd-17
0.628
ALF-EVA-82cf4849-12
0.624
PET-UNK-b38839dc-19
0.619
PET-UNK-f4e47ebd-18
0.619
PET-UNK-b38839dc-20
0.602
PET-UNK-ee8352fa-2
0.596
PET-UNK-ee8352fa-3
0.596
PET-UNK-a7639856-2
0.584
PET-UNK-5d7c542f-2
0.580
ALP-POS-6f6ae286-3
0.576
PET-UNK-f4e47ebd-19
0.576
PET-UNK-5d7c542f-1
0.576
PET-UNK-0df12184-2
0.573
EDG-MED-10fcb19e-2
0.563
PET-UNK-bcc8fd08-2
0.560
ALP-POS-93b3621f-4
0.559
EDJ-MED-1b46f08e-1
0.558
PET-UNK-b38839dc-18
0.557
MAR-UCB-fd2e172f-41
0.557
PET-UNK-a7639856-3
0.557
MAR-UCB-6ab2ec87-3
0.552
MAR-UCB-fd2e172f-24
0.551
PET-UNK-0df12184-5
0.551
EDJ-MED-6bf93aa8-1
0.548
PET-UNK-0df12184-1
0.545
MIC-UNK-7f86385f-1
0.543
MAR-UCB-fd2e172f-31
0.540
MAR-UCB-fd2e172f-25
0.535
PET-UNK-0df12184-4
0.535
PET-UNK-c761fc18-5
0.535
PET-UNK-03fd2068-7
0.535
MIC-UNK-7f86385f-2
0.533
MIC-UNK-7f86385f-4
0.532
ALP-POS-5de921e7-1
0.531
PET-UNK-0df12184-3
0.530
PET-UNK-824b5c6a-1
0.529
PET-UNK-3bb57da2-3
0.529
PET-UNK-49566573-3
0.528
JOH-UNI-6e27fddc-1
0.525
PET-UNK-c761fc18-1
0.525
MAR-UCB-fd2e172f-20
0.525
MAR-UCB-fd2e172f-13
0.524
MAR-UCB-fd2e172f-43
0.524
PET-UNK-bcc8fd08-1
0.520
DAR-DIA-e7614d05-1
0.520
DAR-DIA-e7614d05-2
0.520
ALP-POS-93b3621f-1
0.520
DAR-DIA-e7614d05-3
0.520
MAR-UCB-fd2e172f-28
0.519
MIC-UNK-7f86385f-3
0.518
PET-UNK-10c83c8b-1
0.515
PET-UNK-824b5c6a-2
0.514
MIC-UNK-7f86385f-5
0.514
PET-UNK-824b5c6a-3
0.510
PET-UNK-3bb57da2-1
0.509
PET-UNK-49566573-4
0.509
EDJ-MED-ee742daa-1
0.505
ALP-POS-e6e0c683-2
0.505
JOH-UNI-99d163e5-6
0.505
RAL-THA-58fba2bc-2
0.505
RAL-THA-58fba2bc-4
0.505
EDG-MED-4c68219f-10
0.505
EDG-MED-4c68219f-12
0.505
MIC-UNK-ddc6ad53-1
0.505
ED_-GRI-5b13fbe2-72
0.505
EDG-MED-4c68219f-6
0.505
EDG-MED-4c68219f-16
0.505
ED_-GRI-5b13fbe2-68
0.505
PET-UNK-0cc03aae-5
0.500
MAR-UCB-fd2e172f-21
0.500
ALP-POS-e6e0c683-1
0.500
PET-UNK-5d7c542f-4
0.500
MIC-UNK-ddc6ad53-3
0.500
MAR-UCB-fd2e172f-27
0.500
PET-UNK-3bb57da2-2
0.500
PET-UNK-acd70dee-1
0.500