Molecular Properties | |
SMILES: | O=C1N(Cc2ccccc2Cl)CCN1c1cncc2ccc(Cl)cc12 |
MW: | 371.06 |
Fraction sp3: | 0.16 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 36.44 |
cLogP: | 4.98 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JUL-TUD-06b2044f-112
0.588
JUL-TUD-06b2044f-110
0.396
LUO-POS-8c3e556a-1
0.376
EDG-MED-b1ef7fe3-1
0.376
LUO-POS-8c3e556a-2
0.376
MAT-POS-ddfe83c6-6
0.357
MIK-ENA-434a856c-1
0.357
MIK-ENA-93ef1e28-1
0.357
EDJ-MED-4cb9dd84-2
0.357
PET-UNK-7be94445-2
0.355
JUL-TUD-06b2044f-89
0.352
JUL-TUD-06b2044f-81
0.350
LUO-POS-e1dab717-3
0.342
EDJ-MED-4cb9dd84-3
0.342
DAR-DIA-0f7b7cd9-10
0.340
YVE-CNR-132fc2df-1
0.340
MIK-ENA-f73d8b60-1
0.339
EDJ-MED-b6c6ee2b-4
0.333
PET-UNK-7be94445-1
0.333
MAT-UCL-e2ab2224-1
0.327
MAT-POS-a9372f04-1
0.327
MAT-POS-38eb6498-4
0.325
EDJ-MED-b6c6ee2b-5
0.325
LUO-POS-e1dab717-4
0.325
JUL-TUD-06b2044f-92
0.324
VLA-UNK-5d8210f0-5
0.322
JAG-UCB-c37fbdcd-1
0.321
DAR-DIA-0f7b7cd9-5
0.320
MAT-POS-38eb6498-6
0.319
MAT-POS-ddfe83c6-1
0.319
EDJ-MED-d4864bdc-4
0.317
DAR-DIA-6be260fc-2
0.315
DAR-DIA-b80f1cd7-2
0.314
BEN-DND-d1eb1f41-7
0.314
DAR-DIA-b80f1cd7-1
0.314
MAT-POS-24589f88-14
0.314
BEN-DND-d1eb1f41-15
0.311
PET-UNK-aa57768f-3
0.310
PET-UNK-aa57768f-9
0.310
JUL-TUD-06b2044f-91
0.309
GIA-UNK-80c9bc96-1
0.307
EDG-MED-5d232de5-7
0.307
VLA-UCB-1dbca3b4-13
0.307
PET-UNK-c9c1e0d8-4
0.307
EDG-MED-5d232de5-8
0.307
DAR-DIA-0f7b7cd9-7
0.306
EDJ-MED-3af0740c-1
0.306
JAG-UCB-f37eaa14-2
0.306
DAR-DIA-6be260fc-1
0.306
PET-UNK-6af7266d-1
0.305
PET-UNK-6af7266d-3
0.305
VLA-UNK-70dd90ef-2
0.305
PET-UNK-14142a25-1
0.304
MIK-ENA-37e0b697-1
0.304
MIK-ENA-794411b8-1
0.304
EDJ-MED-8bb691af-8
0.304
PET-UNK-14142a25-10
0.304
LUO-POS-9931618f-1
0.304
LUO-POS-9931618f-2
0.304
EDG-MED-b1ef7fe3-2
0.303
EDJ-MED-b6c6ee2b-6
0.303
DAR-DIA-5d6f1b43-12
0.302
MAT-POS-11ebe265-1
0.302
BEN-DND-d1eb1f41-8
0.302
EDJ-MED-b6c6ee2b-1
0.300
DAR-DIA-6be260fc-5
0.300
MAT-POS-38eb6498-3
0.300
PET-UNK-aa57768f-6
0.299
PET-UNK-aa57768f-12
0.299
JOH-MSK-4bb3d434-1
0.299
BEN-DND-d1eb1f41-9
0.299
PET-UNK-aa57768f-8
0.298
MIC-UNK-9582b2c5-3
0.298
PET-UNK-aa57768f-2
0.298
ALP-UNI-dbb9503d-1
0.298
EDJ-MED-33064c06-8
0.298
DAR-DIA-6be260fc-6
0.297
EDJ-MED-3af0740c-2
0.297
JAG-UCB-f37eaa14-5
0.297
DAR-DIA-5d6f1b43-10
0.296
LUO-POS-e1dab717-7
0.295
MAT-POS-38eb6498-5
0.295
EDJ-MED-b6c6ee2b-2
0.295
DAR-DIA-6be260fc-4
0.295
PET-UNK-14142a25-2
0.294
PET-UNK-14142a25-11
0.294
MAT-POS-d8472c4f-1
0.294
VLA-UNK-5d8210f0-4
0.294
VLA-UNK-61877630-4
0.294
VLA-UNK-8e615992-1
0.294
MAT-POS-8695a11f-1
0.294
MAT-POS-8695a11f-3
0.294
EDJ-MED-8bb691af-3
0.293
VLA-UCB-1dbca3b4-3
0.293
EDJ-MED-4138fde9-3
0.292
ALP-POS-e0fe77e5-13
0.292
ALP-POS-c3a90b22-5
0.292
DAR-DIA-0f7b7cd9-9
0.291
DAR-DIA-6be260fc-3
0.291
MAT-POS-8293a91a-8
0.291