Molecular Properties | |
SMILES: | C[C@H](C(=O)N1CCCc2c(N)cncc21)c1cccc(Cl)c1 |
MW: | 315.11 |
Fraction sp3: | 0.29 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 59.22 |
cLogP: | 3.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
DAR-DIA-5a24bef0-16
1.000
DAR-DIA-5a24bef0-14
1.000
DAR-DIA-5a24bef0-17
0.600
ALP-POS-cd485364-2
0.580
DAR-DIA-5a24bef0-8
0.482
DAR-DIA-5a24bef0-9
0.453
DAR-DIA-5a24bef0-6
0.453
DAR-DIA-5a24bef0-7
0.442
DAR-DIA-5a24bef0-10
0.442
DAR-DIA-5a24bef0-13
0.441
DAR-DIA-5a24bef0-1
0.438
DAR-DIA-5a24bef0-2
0.438
DAR-DIA-5a24bef0-5
0.436
DAR-DIA-5a24bef0-3
0.429
DAR-DIA-5a24bef0-4
0.429
TRY-UNI-714a760b-15
0.395
TRY-UNI-714a760b-18
0.356
TRY-UNI-2eddb1ff-5
0.356
JAN-GHE-83b26c96-4
0.356
JAN-GHE-83b26c96-5
0.356
TRY-UNI-2eddb1ff-4
0.356
JAN-GHE-83b26c96-3
0.333
DAR-DIA-5a24bef0-12
0.330
SAM-UNK-2684b532-7
0.330
SAM-UNK-2684b532-5
0.326
SAM-UNK-2684b532-6
0.326
MAK-UNK-f203cb68-22
0.324
DAR-DIA-5a24bef0-11
0.323
JAN-GHE-83b26c96-6
0.319
MAK-UNK-f203cb68-10
0.317
MAK-UNK-f203cb68-19
0.316
JAN-GHE-83b26c96-2
0.315
BRU-CON-67e07230-1
0.312
MAK-UNK-f203cb68-20
0.305
MAK-UNK-f203cb68-4
0.301
MAK-UNK-f203cb68-21
0.301
VLA-UCB-05e51b3f-2
0.300
NAU-LAT-a5c7d7cb-3
0.300
MAT-POS-1e5f28a7-1
0.298
JAG-UCB-cedd89ab-1
0.297
MAK-UNK-f203cb68-2
0.296
EDG-MED-0da5ad92-5
0.293
JAN-GHE-83b26c96-9
0.293
MAK-UNK-c749d764-22
0.293
MAK-UNK-ffc90da7-4
0.293
ADA-UNI-f8e79267-11
0.292
MIC-UNK-5a93dd5f-10
0.291
NIR-THE-590dedc7-1
0.291
MIC-UNK-6ab519a7-1
0.291
NAU-LAT-a5c7d7cb-2
0.291
ADA-UNI-f8e79267-8
0.290
MAK-UNK-f203cb68-13
0.288
JAN-GHE-83b26c96-10
0.287
PET-UNK-5eca9d1d-3
0.287
TRY-UNI-9f475305-8
0.287
MAK-UNK-f203cb68-11
0.287
VLA-UNK-9a7dc93f-7
0.286
JOH-IMS-1436231f-5
0.286
TRY-UNI-714a760b-9
0.286
JOH-UNI-3fc3434e-6
0.284
MAT-POS-24589f88-14
0.284
BEN-DND-d1eb1f41-7
0.284
JOH-UNI-ee5ed7c8-6
0.284
SAM-UNK-2684b532-14
0.284
AAR-POS-0daf6b7e-10
0.284
MAK-UNK-f203cb68-12
0.283
EDJ-MED-cf4b0d25-1
0.282
ALP-POS-3b848b35-4
0.282
MIC-UNK-c66144cb-3
0.282
PET-UNK-7be94445-2
0.281
WIL-LEE-1f71e281-4
0.281
MIC-UNK-5a93dd5f-1
0.280
MIC-UNK-5a93dd5f-2
0.280
EDJ-MED-e66f2cc5-2
0.280
PET-UNK-431b3bfb-1
0.279
ALP-UNI-58319883-2
0.279
SAM-UNK-2684b532-1
0.278
JAN-GHE-83b26c96-8
0.278
MIC-UNK-5a93dd5f-8
0.278
VLA-UCB-1dbca3b4-13
0.277
JAN-GHE-83b26c96-7
0.277
MAK-UNK-c8c8f7e2-34
0.276
DAR-DIA-23aa0b97-13
0.276
PET-UNK-7be94445-1
0.276
MIC-UNK-5a93dd5f-5
0.274
MIC-UNK-d36ab305-1
0.274
MIC-UNK-50cce87d-11
0.274
DAN-RED-da448e80-11
0.274
MAT-POS-54c4bf04-3
0.273
MIC-UNK-9582b2c5-3
0.272
MIC-UNK-5a93dd5f-3
0.272
TRY-UNI-714a760b-3
0.272
MIC-UNK-5a93dd5f-4
0.270
MIC-UNK-5a93dd5f-6
0.270
MIC-UNK-5a93dd5f-9
0.270
MAK-UNK-f203cb68-3
0.270
MAR-TRE-8190bb11-59
0.270
MIC-UNK-50cce87d-7
0.269
ERI-UCB-d6de1f3c-2
0.269
JAN-GHE-f4ca5a00-18
0.269