Molecular Properties | |
SMILES: | NCC1(C(=O)Nc2cncc3ccccc23)CCNc2ccc(Cl)cc21 |
MW: | 366.12 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 80.04 |
cLogP: | 3.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-ecdbc7dd-14
0.753
DAR-DIA-ecdbc7dd-9
0.728
DAR-DIA-ecdbc7dd-17
0.728
DAR-DIA-ecdbc7dd-8
0.713
DAR-DIA-ecdbc7dd-12
0.698
DAR-DIA-ecdbc7dd-7
0.691
DAR-DIA-ecdbc7dd-10
0.691
DAR-DIA-ecdbc7dd-19
0.691
DAR-DIA-ecdbc7dd-6
0.638
MAT-POS-d8472c4f-3
0.617
MIC-UNK-ea4eb352-3
0.617
EDG-MED-971238d3-5
0.600
MAT-POS-e6dd326d-1
0.600
MAT-POS-2bb0cf2b-1
0.600
MAT-POS-45b13633-1
0.600
EDJ-MED-2f867453-1
0.587
EDJ-MED-9e38fd34-2
0.548
EDJ-MED-9e38fd34-1
0.548
EDJ-MED-9e38fd34-3
0.548
MAT-POS-c7771779-1
0.547
EDJ-MED-15e90dfc-2
0.528
EDG-MED-971238d3-6
0.525
MAT-POS-22e8b45a-3
0.515
RAL-THA-176e263b-1
0.515
EDJ-MED-40433386-10
0.514
EDG-MED-971238d3-2
0.510
MAT-POS-9db1e783-2
0.510
EDG-MED-971238d3-7
0.510
MAT-POS-89e65850-1
0.505
MAT-POS-c7771779-2
0.505
ALP-POS-1cbc2fae-2
0.505
DAR-DIA-ecdbc7dd-13
0.505
EDJ-MED-f893e2a1-1
0.500
MAT-POS-e6dd326d-2
0.500
MAT-POS-c74bc7b3-2
0.500
EDJ-MED-15e90dfc-1
0.500
MAT-POS-45b13633-2
0.500
MAT-POS-c74bc7b3-1
0.500
MAT-POS-e6dd326d-6
0.495
RAL-THA-e002e396-6
0.495
MAT-POS-e6dd326d-9
0.495
JAG-UCB-706446eb-3
0.495
MIC-UNK-ea4eb352-11
0.495
NIR-THE-3fc2bec4-1
0.495
ALP-POS-fe871b40-12
0.495
EDG-MED-971238d3-9
0.495
RAL-THA-58fba2bc-3
0.495
EDG-MED-971238d3-10
0.495
EDG-MED-971238d3-3
0.495
MAT-POS-45b13633-4
0.495
RAL-THA-58fba2bc-1
0.495
MAT-POS-45b13633-3
0.490
MAT-POS-e6dd326d-3
0.490
ALP-POS-fe871b40-8
0.490
JOH-UNI-e398da21-1
0.490
MAT-POS-2905de8c-1
0.490
MAT-POS-3b97339c-2
0.490
EDG-MED-971238d3-4
0.490
EDJ-MED-70ab3faf-1
0.490
MAT-POS-fb82b63d-2
0.490
JAG-UCB-706446eb-6
0.487
DAR-DIA-ecdbc7dd-16
0.486
MAT-POS-e6dd326d-8
0.486
MAT-POS-e6dd326d-12
0.486
RAL-THA-e002e396-2
0.486
RAL-THA-e002e396-1
0.486
RAL-THA-e002e396-11
0.486
MIC-UNK-ea4eb352-7
0.485
EDJ-MED-4f704dc9-1
0.485
RAL-THA-eb6cb89c-2
0.485
MAT-POS-22e8b45a-2
0.485
RAL-THA-176e263b-4
0.485
MAT-POS-9db1e783-1
0.485
EDG-MED-971238d3-1
0.485
MAT-POS-e6dd326d-7
0.482
EDG-MED-971238d3-8
0.481
MAT-POS-f9802937-6
0.481
DAR-DIA-ecdbc7dd-4
0.481
EDJ-MED-f893e2a1-8
0.481
MAT-POS-5d65ec79-2
0.481
MAT-POS-f9802937-5
0.481
MAT-POS-e6dd326d-4
0.481
EDJ-MED-15e90dfc-5
0.477
MAT-POS-e6dd326d-5
0.477
EDJ-MED-424a8a89-2
0.477
MAT-POS-f9802937-3
0.477
MAT-POS-f9802937-4
0.477
MAT-POS-5d65ec79-1
0.477
EDJ-MED-28ec730d-2
0.477
MAT-POS-45b13633-5
0.477
EDG-MED-90036822-2
0.476
EDG-MED-971238d3-11
0.475
PET-UNK-407a74a5-8
0.475
BEN-DND-f2e727cd-2
0.475
EDJ-MED-15e90dfc-4
0.474
JAG-UCB-706446eb-4
0.473
ALP-POS-477dc5b7-3
0.472
RAL-THA-e002e396-5
0.472
RAL-THA-e002e396-12
0.472
MAT-POS-e6dd326d-11
0.472