Molecular Properties | |
SMILES: | COC1(C(=O)Nc2cncc3ccccc23)CCNc2ncc(Cl)cc21 |
MW: | 368.1 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 76.14 |
cLogP: | 3.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-d8472c4f-3
0.652
MIC-UNK-ea4eb352-3
0.652
MIC-UNK-ea4eb352-7
0.630
EDJ-MED-4f704dc9-1
0.630
PET-UNK-c0891748-1
0.624
ALP-POS-fe871b40-7
0.624
EDJ-MED-37aac4bd-5
0.624
PET-UNK-c0891748-7
0.624
ALP-POS-fe871b40-4
0.612
ALP-POS-fe871b40-12
0.604
MIC-UNK-ea4eb352-11
0.604
NIR-THE-3fc2bec4-1
0.604
VLA-UNK-8e76d113-4
0.580
MIC-UNK-ea4eb352-1
0.577
EDJ-MED-211392e3-1
0.577
EDJ-MED-d08626de-1
0.573
EDJ-MED-d08626de-2
0.573
PET-UNK-29afea89-2
0.573
EDG-MED-0e5afe9d-3
0.573
VLA-UNK-8e76d113-3
0.563
MIC-UNK-ea4eb352-4
0.562
MAR-UCB-6ab2ec87-3
0.542
MIC-UNK-ea4eb352-5
0.541
PET-UNK-81b485b5-1
0.540
PET-UNK-81b485b5-15
0.540
MIC-UNK-ea4eb352-12
0.535
EDJ-MED-37aac4bd-1
0.531
MIC-UNK-ea4eb352-8
0.531
MAT-POS-78e1d523-3
0.531
EDJ-MED-d08626de-3
0.531
MAT-POS-78e1d523-4
0.531
EDJ-MED-d08626de-4
0.531
EDJ-MED-d08626de-5
0.531
ALP-POS-f1807566-3
0.530
ALP-POS-fe871b40-3
0.529
PET-UNK-022eab87-2
0.526
BEN-DND-a02b439d-13
0.525
MAT-POS-89e65850-1
0.520
PET-UNK-1abb40f2-3
0.520
PET-UNK-1b92fa34-5
0.520
MAT-POS-c7771779-2
0.520
PET-UNK-1abb40f2-1
0.520
MAT-POS-f9802937-1
0.515
MIC-UNK-ea4eb352-9
0.515
MAT-POS-993cdc78-1
0.510
MAT-POS-993cdc78-2
0.510
ALP-POS-fe871b40-11
0.510
PET-UNK-9bf1291a-3
0.505
MAT-POS-89e65850-2
0.505
PET-UNK-c0891748-5
0.500
PET-UNK-c0891748-9
0.500
PET-UNK-c0891748-11
0.500
PET-UNK-c0891748-3
0.500
PET-UNK-1abb40f2-2
0.495
PET-UNK-1abb40f2-4
0.495
DAR-DIA-9f765dc6-17
0.491
DAR-DIA-9f765dc6-18
0.491
DAR-DIA-9f765dc6-16
0.491
MAT-POS-89bd6af1-4
0.490
PET-UNK-9bf1291a-1
0.490
EDJ-MED-b1cef252-1
0.490
MIC-UNK-ea4eb352-2
0.490
ALP-POS-5290f14d-1
0.490
MAT-POS-83a7b0a0-1
0.490
EDJ-MED-37aac4bd-4
0.490
DAR-DIA-ecdbc7dd-15
0.490
BEN-DND-a02b439d-12
0.490
MAT-POS-932d1078-3
0.490
MAT-POS-932d1078-2
0.490
EDJ-MED-37aac4bd-6
0.486
MAT-POS-c74bc7b3-2
0.485
MAT-POS-c74bc7b3-1
0.485
PET-UNK-9b23ef84-8
0.482
PET-UNK-9bf1291a-5
0.481
VLA-UNK-a5257d84-1
0.480
PET-UNK-4d432d33-4
0.477
PET-UNK-4d432d33-8
0.477
PET-UNK-ad758083-5
0.477
PET-UNK-3bb57da2-3
0.477
PET-UNK-824b5c6a-1
0.476
EDJ-MED-841e0cf0-1
0.476
EDJ-MED-670ad2ee-1
0.476
PET-UNK-10c83c8b-1
0.476
MIC-UNK-ea4eb352-6
0.476
MAT-POS-3b97339c-2
0.475
EDG-MED-971238d3-4
0.475
MAT-POS-2905de8c-1
0.475
DAR-DIA-9f765dc6-14
0.473
DAR-DIA-9f765dc6-15
0.473
EDJ-MED-015fb6b4-1
0.473
DAR-DIA-9f765dc6-13
0.473
EDJ-MED-cf877e1d-2
0.472
PET-UNK-3bb57da2-1
0.472
PET-UNK-88d26eaf-1
0.472
PET-UNK-824b5c6a-3
0.472
PET-UNK-5ad1c31a-4
0.468
PET-UNK-9b23ef84-4
0.468
PET-UNK-9b23ef84-12
0.468
PET-UNK-5ad1c31a-10
0.468
PET-UNK-ad758083-3
0.468