Molecular Properties | |
SMILES: | Cc1ccc(C(=O)N2CCN(Cc3cc(Cl)c(Cl)cc3F)CC2)s1 |
MW: | 386.04 |
Fraction sp3: | 0.35 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 23.55 |
cLogP: | 4.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
halogenated ring
JUL-TUD-06b2044f-29
0.620
JUL-TUD-06b2044f-126
0.545
JUL-TUD-06b2044f-119
0.337
JUL-TUD-06b2044f-136
0.333
ALP-POS-3fc1724e-3
0.330
MAK-UNK-7c9d1431-20
0.321
JUL-TUD-06b2044f-72
0.316
SAD-SAT-bc31ec01-1
0.312
KIM-UNI-7d12df64-3
0.309
JUL-TUD-06b2044f-124
0.305
ALP-POS-3fc1724e-4
0.305
JOH-UNI-27ac80fd-25
0.303
JON-UIO-066ce08b-16
0.302
JON-UIO-066ce08b-9
0.301
HYO-UNK-50298ba0-1
0.299
BEN-VAN-c986b20b-13
0.298
KIM-UNI-7d12df64-1
0.298
BEN-VAN-d8fd1356-23
0.297
BEN-VAN-d8fd1356-24
0.295
JUL-TUD-06b2044f-73
0.295
AHN-SAT-de2502ba-15
0.293
BEN-VAN-d8fd1356-20
0.292
DAR-DIA-fb20be43-12
0.290
JON-UIO-066ce08b-10
0.289
JUL-TUD-06b2044f-74
0.288
JUL-TUD-06b2044f-57
0.286
JUL-TUD-06b2044f-128
0.286
SAD-SAT-65574d3f-10
0.286
TAT-ENA-80bfd3e5-20
0.282
AAR-POS-d2a4d1df-41
0.282
JAN-GHE-fd8d85a5-10
0.282
DRR-IMP-38dce17f-1
0.282
MED-COV-4280ac29-37
0.281
BEN-VAN-d8fd1356-22
0.278
BEN-VAN-c986b20b-3
0.275
BEN-VAN-c986b20b-16
0.275
BEN-VAN-c986b20b-10
0.275
JUL-TUD-06b2044f-92
0.275
JUL-TUD-06b2044f-18
0.274
JOH-UNI-27ac80fd-26
0.273
NEH-REV-107bcf72-3
0.273
BEN-VAN-d8fd1356-21
0.273
JON-UIO-066ce08b-11
0.271
SAD-SAT-5b1897b2-5
0.271
KRI-MAR-d2e3ef86-6
0.270
DAR-DIA-fb20be43-2
0.270
ANT-OPE-d972fbad-1
0.269
NEH-REV-107bcf72-5
0.268
JOH-UNI-23d9e1b1-1
0.268
SAD-SAT-5b1897b2-2
0.268
BEN-DND-7e92b6ca-10
0.266
KRI-MAR-d2e3ef86-5
0.266
BEN-VAN-c986b20b-5
0.266
STU-CHA-5350f95a-1
0.265
JUL-TUD-06b2044f-152
0.265
MAK-UNK-e4a48a85-26
0.263
AAR-POS-0daf6b7e-2
0.263
DAR-DIA-fb20be43-1
0.261
BEN-VAN-c986b20b-17
0.261
TAM-UNI-d1c3dd9f-17
0.261
BEN-VAN-c986b20b-2
0.261
STU-CHA-6d5cfe2b-1
0.260
ERI-UCB-a0b0dbcb-12
0.260
MAK-UNK-212f693e-6
0.260
MAK-UNK-7c9d1431-29
0.260
STU-CHA-128b80be-1
0.260
SAD-SAT-f0a2747f-8
0.260
JOH-UNI-27ac80fd-23
0.259
AAR-POS-0daf6b7e-12
0.259
MAR-LAB-ca4662a6-2
0.259
JOH-UNI-27ac80fd-24
0.259
JOH-UNI-27ac80fd-38
0.258
BEN-VAN-c986b20b-15
0.258
JUL-TUD-06b2044f-148
0.258
STU-CHA-128b80be-2
0.257
SAD-SAT-1f400d17-6
0.256
SAD-SAT-581007d4-1
0.256
SAD-SAT-581007d4-2
0.256
AAR-POS-d2a4d1df-24
0.256
MAK-UNK-7c9d1431-14
0.256
VIT-UNK-cff011c0-2
0.255
HEI-REL-0c990a45-4
0.255
BEN-VAN-c986b20b-9
0.255
KIM-UNI-2ee5d8f9-1
0.253
DRR-IMP-38dce17f-2
0.253
DAR-DIA-fb20be43-8
0.253
PAU-UNI-19862c28-1
0.253
JAN-GHE-fd8d85a5-9
0.253
JUL-TUD-06b2044f-85
0.253
JAN-GHE-fd8d85a5-3
0.253
MAK-UNK-10dfa458-7
0.253
BEN-VAN-c986b20b-4
0.253
STU-CHA-6cae54d3-1
0.253
BEN-VAN-c986b20b-8
0.250
ERI-UCB-a0b0dbcb-11
0.250
STE-UNK-13e151dd-1
0.250
MAK-UNK-af83ef51-27
0.250
JUL-TUD-06b2044f-131
0.250
MAT-POS-4e253971-2
0.250
SEL-UNI-cd366922-6
0.250