Molecular Properties | |
SMILES: | Cc1cccc2cncc(N3CCC4(COCc5ccc(Cl)cc54)C3)c12 |
MW: | 364.13 |
Fraction sp3: | 0.32 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 25.36 |
cLogP: | 4.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-159244ea-2
EDJ-MED-3656d29d-1
0.594
EDJ-MED-a6bab6fb-1
0.594
EDJ-MED-e78d5f1a-1
0.425
EDJ-MED-d7486dd1-1
0.395
EDJ-MED-8bb691af-1
0.381
MIC-UNK-50cce87d-7
0.371
MIC-UNK-50cce87d-11
0.349
EDJ-MED-8bb691af-2
0.344
EDJ-MED-159244ea-2
0.342
MAT-POS-983b399a-2
0.342
JOH-UNI-6e27fddc-7
0.330
JOH-UNI-6e27fddc-1
0.330
MAT-POS-853c0ffa-7
0.323
JOH-UNI-6e27fddc-5
0.317
JOH-UNI-6e27fddc-6
0.317
MAT-POS-b4d6b7fc-6
0.312
MAT-POS-1d5ab790-2
0.312
MAT-POS-853c0ffa-17
0.307
EDJ-MED-8bb691af-7
0.306
EDJ-MED-d1555997-2
0.299
MAT-POS-853c0ffa-5
0.292
MAT-POS-1d5ab790-1
0.292
PET-UNK-eeb64427-3
0.291
PET-UNK-eeb64427-6
0.291
BEN-DND-d1eb1f41-12
0.288
JOH-UNI-df8adf26-2
0.288
MAT-POS-be048f2c-8
0.286
ALP-POS-ecbed2ba-6
0.285
ALP-POS-c3a90b22-4
0.285
BEN-DND-a7517465-1
0.282
MAT-POS-1d5ab790-3
0.281
MAT-POS-853c0ffa-1
0.281
EDJ-MED-7587a9ee-3
0.281
EDJ-MED-33064c06-16
0.280
MAT-POS-e75f6e44-10
0.280
VLA-MRT-8c78ee15-3
0.280
MAT-POS-ddfe83c6-4
0.280
VLA-MRT-a639d434-1
0.280
EDJ-MED-4138fde9-8
0.279
EDJ-MED-cc48ee33-4
0.279
MAT-POS-be048f2c-7
0.278
MAT-POS-be048f2c-5
0.278
VLA-MRT-8c78ee15-4
0.276
EDJ-MED-7587a9ee-2
0.276
VLA-MRT-a639d434-2
0.276
JOH-UNI-df8adf26-3
0.276
EDJ-MED-cc48ee33-5
0.275
LUO-POS-f7b1afe6-3
0.274
LUO-POS-ed2cfb03-2
0.274
PET-UNK-143b31ee-3
0.274
PET-UNK-143b31ee-6
0.274
MIC-UNK-50cce87d-3
0.274
RUB-POS-1325a9ea-3
0.274
EDJ-MED-3707c4bc-2
0.273
PET-UNK-9b23ef84-12
0.273
MAT-POS-853c0ffa-8
0.273
EDJ-MED-8bb691af-3
0.272
EDJ-MED-8bb691af-4
0.272
MAT-POS-c7726e07-5
0.272
LUO-POS-868e8996-11
0.272
MAT-POS-c7726e07-6
0.272
LUO-POS-868e8996-12
0.272
EDJ-MED-7587a9ee-4
0.272
EDJ-MED-cc48ee33-3
0.271
MAT-POS-e75f6e44-14
0.271
LUO-POS-f7b1afe6-4
0.270
MAT-POS-50a80394-7
0.270
MIC-UNK-50cce87d-8
0.270
ALP-POS-ecbed2ba-10
0.269
MIK-ENA-4a1c9a78-1
0.269
MIK-ENA-1494235a-1
0.269
MIK-ENA-4ed700b1-1
0.269
JOH-MSK-51c67e7d-2
0.269
JOH-MSK-51c67e7d-1
0.269
ALP-POS-c3a90b22-10
0.269
PET-UNK-f4e47ebd-24
0.268
ALP-POS-133e7cd9-1
0.268
PET-UNK-f4e47ebd-26
0.268
EDJ-MED-6b23330e-7
0.267
EDJ-MED-6b23330e-1
0.267
EDJ-MED-6b23330e-2
0.267
EDJ-MED-6b23330e-5
0.267
ALP-POS-c3a90b22-7
0.267
MAT-POS-e75f6e44-4
0.267
PET-UNK-b566c0b0-5
0.267
EDG-MED-b6bce001-2
0.267
PET-UNK-b566c0b0-3
0.266
ALP-POS-ecbed2ba-20
0.266
LUO-POS-e1dab717-19
0.266
ALP-POS-ecbed2ba-7
0.266
LUO-POS-e1dab717-1
0.266
MAT-POS-69786b79-1
0.266
MAT-POS-576f7758-1
0.266
LUO-POS-ed2cfb03-1
0.266
MAT-POS-566864e2-4
0.266
EDJ-MED-40e596c8-1
0.266
MAT-POS-566864e2-3
0.266
EDJ-MED-6b23330e-4
0.265
VLA-UNK-83c3754c-1
0.265
MIK-ENA-fc9ceda2-1
0.265