Molecular Properties | |
SMILES: | C[C@@]1(C(=O)N2CCCc3c(N)cncc32)CCNc2ccc(Cl)cc21 |
MW: | 356.14 |
Fraction sp3: | 0.37 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 1 |
TPSA: | 71.25 |
cLogP: | 3.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
DAR-DIA-5a24bef0-7
0.733
DAR-DIA-5a24bef0-10
0.733
DAR-DIA-5a24bef0-3
0.617
DAR-DIA-5a24bef0-6
0.579
DAR-DIA-5a24bef0-9
0.579
DAR-DIA-5a24bef0-2
0.485
DAR-DIA-5a24bef0-5
0.470
DAR-DIA-5a24bef0-14
0.429
DAR-DIA-5a24bef0-17
0.429
DAR-DIA-5a24bef0-15
0.429
DAR-DIA-5a24bef0-16
0.429
ALP-POS-cd485364-2
0.429
DAR-DIA-5a24bef0-8
0.423
DAR-DIA-5a24bef0-13
0.404
DAR-DIA-5a24bef0-1
0.389
DAR-DIA-6be260fc-5
0.333
PET-UNK-c761fc18-3
0.328
ALP-POS-e0fe77e5-13
0.325
ALP-POS-e0fe77e5-14
0.325
BRU-THA-55eab31a-1
0.325
ALP-POS-e0fe77e5-15
0.322
MIC-UNK-ea4eb352-3
0.310
MAT-POS-d8472c4f-3
0.310
PET-UNK-c761fc18-7
0.310
EDJ-MED-2f867453-1
0.304
DAR-DIA-ecdbc7dd-9
0.303
DAR-DIA-ecdbc7dd-19
0.302
DAR-DIA-ecdbc7dd-14
0.300
DAR-DIA-ecdbc7dd-15
0.299
VLA-UNK-c65c1026-3
0.299
DAR-DIA-ecdbc7dd-8
0.298
DAR-DIA-ecdbc7dd-12
0.294
DAR-DIA-6be260fc-1
0.293
JAG-UCB-f37eaa14-2
0.293
DAR-DIA-ecdbc7dd-7
0.291
VLA-UNK-70dd90ef-1
0.287
DAR-DIA-6be260fc-6
0.286
DAR-DIA-ecdbc7dd-17
0.282
DAR-DIA-ecdbc7dd-10
0.281
YVE-CNR-7d92d73e-1
0.280
VLA-UNK-c65c1026-4
0.276
DAR-DIA-6be260fc-4
0.273
DAR-DIA-6be260fc-2
0.270
DAR-DIA-5a24bef0-12
0.270
DAR-DIA-6be260fc-3
0.269
MAT-POS-a9372f04-1
0.267
MAT-POS-c74bc7b3-1
0.267
MAT-POS-c74bc7b3-2
0.267
DAR-DIA-5a24bef0-11
0.265
VLA-UNK-70dd90ef-3
0.265
DAR-DIA-ecdbc7dd-6
0.265
ALP-POS-ecbed2ba-13
0.263
KIM-UNI-7d12df64-4
0.262
LUO-POS-8c3e556a-1
0.262
LUO-POS-8c3e556a-2
0.262
EDG-MED-b1ef7fe3-1
0.262
YVE-CNR-132fc2df-1
0.258
MAT-POS-ddfe83c6-6
0.258
ALP-POS-5de921e7-2
0.256
LUO-POS-e1dab717-3
0.256
MIK-ENA-f73d8b60-1
0.256
EDJ-MED-6b23330e-3
0.255
MIK-UNK-122557fa-1
0.254
PET-UNK-757f8bc8-5
0.254
EDJ-MED-705e09b8-1
0.254
MIK-UNK-1619f2e2-1
0.254
EDJ-MED-d4864bdc-1
0.254
EDJ-MED-3707c4bc-2
0.254
MAT-POS-69786b79-3
0.252
LUO-POS-e1dab717-4
0.252
BEN-DND-d1eb1f41-2
0.250
EDJ-MED-cc48ee33-4
0.250
MAT-POS-be048f2c-6
0.250
EDJ-MED-d4864bdc-2
0.250
BEN-DND-f2e727cd-2
0.248
VLA-UNK-70dd90ef-2
0.248
VLA-UCB-34f3ed0c-18
0.246
EDJ-MED-98c0a822-1
0.246
EDJ-MED-33064c06-1
0.246
ALP-POS-5fe48310-1
0.246
MIK-ENA-5d9157e9-6
0.246
MIK-ENA-5d9157e9-5
0.246
MAT-POS-e75f6e44-19
0.244
EDJ-MED-33064c06-12
0.244
VLA-UNK-5d8210f0-4
0.244
MAR-UCB-fd2e172f-29
0.244
EDJ-MED-cc48ee33-2
0.243
EDJ-MED-976a33d5-3
0.242
EDJ-MED-cc48ee33-3
0.242
MIK-ENA-794411b8-1
0.242
LUO-POS-9931618f-1
0.242
PET-UNK-14142a25-10
0.242
EDJ-MED-8bb691af-8
0.242
MIK-ENA-37e0b697-1
0.242
PET-UNK-14142a25-1
0.242
LUO-POS-9931618f-2
0.242
MAT-POS-be048f2c-7
0.241
MIK-ENA-434a856c-1
0.241
MAT-POS-c88128cb-7
0.241
EDJ-MED-4cb9dd84-2
0.241