Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1(CN2CC2)CCNc2ccc(Cl)cc21 |
MW: | 392.14 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 57.03 |
cLogP: | 3.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aziridine_diazirine
Three-membered heterocycle
Three-membered heterocycles
Filter40_epoxide_aziridine
Filter80_Thioepoxide_aziridone
aziridine-like N in 3-membered ring
DAR-DIA-ecdbc7dd-9
0.940
DAR-DIA-ecdbc7dd-8
0.919
DAR-DIA-ecdbc7dd-7
0.909
DAR-DIA-ecdbc7dd-19
0.909
DAR-DIA-ecdbc7dd-12
0.898
DAR-DIA-ecdbc7dd-10
0.888
DAR-DIA-ecdbc7dd-15
0.753
DAR-DIA-ecdbc7dd-17
0.716
DAR-DIA-ecdbc7dd-6
0.709
DAR-DIA-ecdbc7dd-13
0.656
DAR-DIA-ecdbc7dd-4
0.610
DAR-DIA-ecdbc7dd-18
0.606
DAR-DIA-ecdbc7dd-2
0.606
DAR-DIA-ecdbc7dd-3
0.598
MAT-POS-d8472c4f-3
0.592
MIC-UNK-ea4eb352-3
0.592
DAR-DIA-ecdbc7dd-11
0.587
DAR-DIA-ecdbc7dd-5
0.587
EDJ-MED-2f867453-1
0.562
EDJ-MED-15e90dfc-2
0.536
EDG-MED-971238d3-2
0.520
MAT-POS-9db1e783-2
0.520
MAT-POS-2bb0cf2b-1
0.515
MAT-POS-45b13633-1
0.515
EDG-MED-971238d3-5
0.515
MAT-POS-e6dd326d-1
0.515
MAT-POS-c7771779-1
0.510
MAT-POS-e6dd326d-2
0.510
MAT-POS-45b13633-2
0.510
MAT-POS-e6dd326d-12
0.509
DAR-DIA-ecdbc7dd-16
0.509
EDG-MED-971238d3-3
0.505
MAT-POS-45b13633-4
0.505
RAL-THA-58fba2bc-1
0.505
JAG-UCB-706446eb-3
0.505
EDG-MED-971238d3-9
0.505
EDG-MED-971238d3-6
0.505
EDG-MED-971238d3-10
0.505
RAL-THA-58fba2bc-3
0.505
MAT-POS-e6dd326d-9
0.505
ALP-POS-1cbc2fae-2
0.500
EDJ-MED-fcba3f31-7
0.500
MAT-POS-45b13633-3
0.500
MAT-POS-e6dd326d-3
0.500
JAG-UCB-706446eb-6
0.496
MAT-POS-e6dd326d-8
0.495
RAL-THA-e002e396-2
0.495
RAL-THA-e002e396-1
0.495
RAL-THA-e002e396-11
0.495
RAL-THA-176e263b-1
0.495
MAT-POS-22e8b45a-3
0.495
EDG-MED-971238d3-1
0.495
MAT-POS-9db1e783-1
0.495
EDJ-MED-9e38fd34-2
0.495
EDJ-MED-9e38fd34-1
0.495
EDJ-MED-9e38fd34-3
0.495
RAL-THA-e002e396-10
0.491
MAT-POS-e6dd326d-6
0.491
MAT-POS-5d65ec79-2
0.491
MAT-POS-f9802937-5
0.491
MAT-POS-e6dd326d-4
0.491
EDG-MED-971238d3-8
0.491
EDG-MED-971238d3-7
0.491
MAT-POS-f9802937-6
0.491
RAL-THA-e002e396-6
0.491
EDJ-MED-f893e2a1-8
0.491
EDJ-MED-15e90dfc-5
0.487
MAT-POS-5d65ec79-1
0.486
EDJ-MED-28ec730d-2
0.486
MAT-POS-45b13633-5
0.486
EDJ-MED-424a8a89-2
0.486
MAT-POS-f9802937-3
0.486
MAT-POS-f9802937-4
0.486
MAT-POS-2905de8c-1
0.485
EDG-MED-971238d3-4
0.485
EDG-MED-971238d3-11
0.485
MAT-POS-3b97339c-2
0.485
EDJ-MED-f893e2a1-1
0.483
EDJ-MED-15e90dfc-1
0.483
MAT-POS-e6dd326d-14
0.483
EDJ-MED-40433386-10
0.482
ALP-POS-477dc5b7-3
0.482
RAL-THA-e002e396-5
0.482
RAL-THA-e002e396-12
0.482
MAT-POS-e6dd326d-11
0.482
RAL-THA-eb6cb89c-2
0.481
MAT-POS-8e4737f4-1
0.480
BEN-DND-a7517465-4
0.480
MAT-POS-c74bc7b3-1
0.480
MAT-POS-2905de8c-3
0.480
DAR-DIA-6a508060-10
0.480
EDJ-MED-e4b030d8-13
0.480
MAT-POS-c74bc7b3-2
0.480
EDJ-MED-4c7486ba-1
0.478
EDJ-MED-4c7486ba-4
0.478
MAT-POS-e6dd326d-7
0.478
EDG-MED-70ae9412-2
0.478
RAL-THA-e002e396-7
0.477
MIC-UNK-ea4eb352-11
0.477
NIR-THE-3fc2bec4-1
0.477