Molecular Properties | |
SMILES: | CN(C(=O)N1CCCc2c(N)cncc21)c1cccc(Cl)c1 |
MW: | 316.11 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 62.46 |
cLogP: | 3.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
DAR-DIA-5a24bef0-16
0.600
DAR-DIA-5a24bef0-14
0.600
DAR-DIA-5a24bef0-15
0.600
ALP-POS-cd485364-2
0.542
DAR-DIA-5a24bef0-6
0.468
DAR-DIA-5a24bef0-9
0.468
DAR-DIA-5a24bef0-13
0.457
DAR-DIA-5a24bef0-8
0.448
DAR-DIA-5a24bef0-3
0.443
DAR-DIA-5a24bef0-7
0.442
DAR-DIA-5a24bef0-10
0.442
DAR-DIA-5a24bef0-1
0.438
DAR-DIA-5a24bef0-5
0.436
DAR-DIA-5a24bef0-4
0.429
DAR-DIA-5a24bef0-2
0.423
EDG-MED-0da5ad92-3
0.349
DAR-DIA-5a24bef0-12
0.344
DAR-DIA-5a24bef0-11
0.323
MAK-UNK-c8c8f7e2-2
0.294
MAK-UNK-7a704a63-11
0.294
EDG-MED-0da5ad92-19
0.289
MIC-UNK-cdc2493e-11
0.286
MIC-UNK-cdc2493e-17
0.283
VLA-UCB-34f3ed0c-7
0.282
WAR-XCH-b6889685-7
0.281
EDJ-MED-e66f2cc5-2
0.280
ALP-UNI-58319883-2
0.279
PET-UNK-431b3bfb-1
0.279
TRY-UNI-714a760b-15
0.277
EDJ-MED-96f6b92c-1
0.276
MAT-POS-136e7878-1
0.276
PET-UNK-7be94445-1
0.276
MIC-UNK-cdc2493e-18
0.275
MIC-UNK-bcd487e9-4
0.275
JAN-GHE-d851b096-8
0.275
JOR-UNI-2fc98d0b-16
0.275
MIC-UNK-d854bf4c-3
0.274
MIC-UNK-cdc2493e-13
0.274
PET-UNK-5eca9d1d-3
0.274
MAT-POS-54c4bf04-3
0.273
MIC-UNK-9582b2c5-3
0.272
WAR-XCH-72a8c209-2
0.272
TRY-UNI-714a760b-9
0.272
MAK-UNK-c749d764-22
0.271
MAK-UNK-ffc90da7-4
0.271
JOR-UNI-2fc98d0b-15
0.271
SAM-UNK-2684b532-14
0.271
MIC-UNK-cdc2493e-2
0.270
MIC-UNK-cdc2493e-14
0.270
JOR-UNI-2fc98d0b-5
0.269
JOR-UNI-2fc98d0b-11
0.269
JOR-UNI-2fc98d0b-17
0.269
JAG-UCB-cedd89ab-1
0.269
MIC-UNK-d36ab305-3
0.269
MAT-POS-173a45da-1
0.269
MIC-UNK-cdc2493e-12
0.269
PET-UNK-7be94445-2
0.268
SAM-UNK-2684b532-2
0.268
MIC-UNK-d36ab305-6
0.267
MIC-UNK-cdc2493e-20
0.266
KEI-TRE-d5e2018a-19
0.265
JOR-UNI-2fc98d0b-8
0.265
MAT-POS-d8472c4f-1
0.265
MAT-POS-8695a11f-3
0.265
MAT-POS-8695a11f-1
0.265
MAT-POS-450cb4f9-2
0.265
VLA-UCB-1dbca3b4-13
0.265
MAK-UNK-c8c8f7e2-4
0.264
JOR-UNI-2fc98d0b-14
0.264
MIC-UNK-d36ab305-2
0.264
MIC-UNK-d854bf4c-1
0.263
EDG-MED-0da5ad92-20
0.262
MIC-UNK-50cce87d-11
0.262
DAR-DIA-23aa0b97-13
0.261
MIC-UNK-cdc2493e-21
0.261
JAN-GHE-83b26c96-10
0.260
MAT-POS-24589f88-14
0.260
BEN-DND-d1eb1f41-7
0.260
PET-UNK-c9c1e0d8-3
0.260
JOR-UNI-2fc98d0b-12
0.260
ALP-UNI-dbb9503d-2
0.259
MIC-UNK-cdc2493e-1
0.259
TRY-UNI-714a760b-3
0.258
EDG-MED-0da5ad92-1
0.258
JAN-GHE-83b26c96-15
0.258
SEA-TRI-04ff6e57-1
0.258
MIC-UNK-50cce87d-7
0.257
FRA-DIA-13af2da5-1
0.257
JOR-UNI-2fc98d0b-1
0.257
MIC-UNK-d36ab305-5
0.257
JOR-UNI-2fc98d0b-3
0.257
JOR-UNI-2fc98d0b-4
0.257
JOH-UNI-ee5ed7c8-12
0.257
JOH-UNI-3fc3434e-12
0.257
MIC-UNK-cdc2493e-4
0.257
MIC-UNK-cdc2493e-5
0.257
ALP-POS-ddb41b15-3
0.257
MIC-UNK-cdc2493e-7
0.257
TRY-UNI-2eddb1ff-4
0.255
TRY-UNI-2eddb1ff-5
0.255