Molecular Properties | |
SMILES: | C[C@]1(C(=O)N2CCCc3c(N)cncc32)CNc2ccc(Cl)cc21 |
MW: | 342.12 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 1 |
TPSA: | 71.25 |
cLogP: | 2.98 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
DAR-DIA-5a24bef0-10
1.000
DAR-DIA-5a24bef0-4
0.733
DAR-DIA-5a24bef0-6
0.598
DAR-DIA-5a24bef0-9
0.598
DAR-DIA-5a24bef0-3
0.585
DAR-DIA-5a24bef0-2
0.485
DAR-DIA-5a24bef0-5
0.485
DAR-DIA-5a24bef0-14
0.442
DAR-DIA-5a24bef0-17
0.442
DAR-DIA-5a24bef0-15
0.442
DAR-DIA-5a24bef0-16
0.442
ALP-POS-cd485364-2
0.427
DAR-DIA-5a24bef0-8
0.421
DAR-DIA-5a24bef0-13
0.416
DAR-DIA-5a24bef0-1
0.413
EDJ-MED-2f867453-1
0.375
VLA-UNK-70dd90ef-1
0.318
JAG-UCB-f37eaa14-2
0.312
DAR-DIA-6be260fc-1
0.312
VLA-UNK-c65c1026-3
0.307
VLA-UNK-c65c1026-4
0.306
DAR-DIA-6be260fc-6
0.304
DAR-DIA-6be260fc-4
0.302
DAR-DIA-6be260fc-2
0.299
DAR-DIA-6be260fc-3
0.298
DAR-DIA-6be260fc-5
0.284
PET-UNK-c761fc18-3
0.280
ALP-POS-e0fe77e5-13
0.277
BRU-THA-55eab31a-1
0.276
YVE-CNR-7d92d73e-1
0.276
ALP-POS-e0fe77e5-15
0.274
ALP-POS-e0fe77e5-14
0.267
DAR-DIA-5a24bef0-12
0.266
MIC-UNK-ea4eb352-3
0.263
PET-UNK-c761fc18-7
0.263
MIK-ENA-5d9157e9-6
0.263
MIK-ENA-5d9157e9-5
0.263
MAT-POS-d8472c4f-3
0.263
ALP-POS-5fe48310-1
0.263
DAR-DIA-5a24bef0-11
0.261
VLA-UNK-70dd90ef-3
0.261
EDJ-MED-d4864bdc-1
0.260
DAR-DIA-ecdbc7dd-9
0.258
DAR-DIA-ecdbc7dd-19
0.258
RAL-THA-176e263b-4
0.256
MAT-POS-22e8b45a-2
0.256
MAT-POS-be048f2c-6
0.256
YVE-CNR-132fc2df-1
0.254
DAR-DIA-ecdbc7dd-14
0.254
DAR-DIA-ecdbc7dd-8
0.254
MAT-POS-a9372f04-1
0.252
MAT-POS-c7771779-1
0.252
DAR-DIA-ecdbc7dd-15
0.252
LUO-POS-e1dab717-3
0.252
PET-UNK-757f8bc8-5
0.250
DAR-DIA-ecdbc7dd-12
0.250
EDJ-MED-705e09b8-1
0.250
MIK-UNK-1619f2e2-1
0.250
MIK-UNK-122557fa-1
0.250
DAR-DIA-ecdbc7dd-7
0.248
DAR-DIA-ecdbc7dd-17
0.248
EDG-MED-b1ef7fe3-1
0.248
LUO-POS-8c3e556a-1
0.248
LUO-POS-8c3e556a-2
0.248
EDJ-MED-9e38fd34-2
0.248
EDJ-MED-9e38fd34-1
0.248
EDJ-MED-9e38fd34-3
0.248
EDJ-MED-cc48ee33-4
0.246
EDJ-MED-d4864bdc-2
0.246
MAT-POS-ddfe83c6-6
0.244
JOH-MSK-4bb3d434-1
0.244
MAT-POS-edabd372-2
0.244
PET-UNK-f9b7ae87-1
0.244
VLA-UNK-70dd90ef-2
0.243
EDJ-MED-6b23330e-3
0.243
EDJ-MED-98c0a822-1
0.242
MIK-ENA-f73d8b60-1
0.242
EDJ-MED-33064c06-1
0.242
MAT-POS-c88128cb-11
0.242
PET-UNK-f9b7ae87-2
0.242
ALP-POS-ecbed2ba-13
0.241
MAT-POS-e75f6e44-19
0.241
EDJ-MED-33064c06-12
0.241
PET-UNK-eeb64427-5
0.240
PET-UNK-eeb64427-2
0.240
VLA-UNK-5d8210f0-4
0.240
EDJ-MED-cc48ee33-2
0.239
DAR-DIA-ecdbc7dd-10
0.238
MAT-POS-69786b79-3
0.238
EDJ-MED-976a33d5-3
0.238
EDJ-MED-cc48ee33-3
0.238
PET-UNK-eeb64427-3
0.238
PET-UNK-eeb64427-6
0.238
LUO-POS-e1dab717-4
0.238
ALP-POS-c3a90b22-2
0.238
PET-UNK-14142a25-10
0.238
EDJ-MED-8bb691af-8
0.238
PET-UNK-14142a25-1
0.238
MIK-ENA-37e0b697-1
0.238
LUO-POS-9931618f-1
0.238