Molecular Properties | |
SMILES: | CN(C)CCc1c[nH]c2ccc(S(=O)(=O)N(C)C)cc12 |
MW: | 295.408 |
Fraction sp3: | 0.43 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 56.41 |
cLogP: | 1.5223 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
AAR-POS-d2a4d1df-2
ANT-OPE-47f3bb65-4
0.702
ANT-OPE-47f3bb65-3
0.554
ANT-OPE-47f3bb65-2
0.538
JOH-MSK-a63bdd1d-9
0.533
MAR-UCB-195bc32d-19
0.533
LON-WEI-b8d98729-34
0.530
TOM-OIS-cbf37265-2
0.530
ANT-OPE-47f3bb65-1
0.530
MAR-UCB-195bc32d-23
0.516
JOH-MSK-a63bdd1d-10
0.443
MAR-TRE-fffca54f-95
0.423
JOH-MSK-a63bdd1d-5
0.346
DAR-DIA-eace69ff-35
0.343
MAR-TRE-85681e92-10
0.338
MAR-UNI-9ca61fdc-1
0.333
MAR-UCB-195bc32d-5
0.329
DUN-NEW-f8ce3686-12
0.329
MAT-GIT-deadff56-1
0.329
JOH-MEM-4bb7e4cc-1
0.329
JOH-MSK-a63bdd1d-4
0.329
MAR-UCB-195bc32d-16
0.329
MAR-TRE-85681e92-12
0.325
AAR-POS-d2a4d1df-2
0.324
SAN-PRS-3c4a6997-1
0.324
JOH-MSK-a63bdd1d-7
0.319
MAR-UCB-195bc32d-21
0.316
ALE-ACE-2610ee4d-1
0.316
JOH-MSK-35a8745a-1
0.316
SAN-PRS-3c4a6997-4
0.307
NAU-LAT-81109c57-8
0.284
NAU-LAT-81109c57-1
0.280
MAR-TRE-d3c2bf0e-32
0.280
MAK-UNK-be5ffcbc-8
0.278
MAR-TRE-fd17a9b8-35
0.276
JOH-MEM-5e386bbd-7
0.275
TOM-OIS-cbf37265-1
0.274
SCO-VAN-260d9628-5
0.273
DAR-DIA-eace69ff-37
0.271
DAR-DIA-eace69ff-36
0.271
SAN-PRS-3c4a6997-2
0.270
MAR-TRE-c317dd82-56
0.270
MAT-POS-90fd5f68-36
0.269
MAR-UCB-195bc32d-4
0.267
JAR-IMP-ed466bb3-19
0.264
MAR-TRE-3724962b-25
0.264
ABI-SAT-30e287c1-2
0.263
MAR-TRE-be9ff7d2-73
0.258
MAR-TRE-92684b97-67
0.256
AMI-SHA-be6e1b75-1
0.253
AMI-SHA-0ab64bbd-1
0.253
MAR-TRE-4f39ef4a-26
0.253
JOH-MSK-a63bdd1d-6
0.250
NAU-LAT-81109c57-4
0.250
MAK-UNK-be5ffcbc-3
0.247
MAK-UNK-be5ffcbc-1
0.247
MAR-TRE-04c86cea-51
0.245
MAR-TRE-4f39ef4a-51
0.244
NAU-LAT-81109c57-2
0.244
WIL-LEE-364b6ea8-13
0.244
JOH-MSK-a63bdd1d-2
0.244
MAR-TRE-6a44bbf2-46
0.244
MAR-TRE-4f39ef4a-57
0.242
MAR-TRE-4f39ef4a-31
0.242
MAK-UNK-be5ffcbc-7
0.239
FRA-LAB-04e32718-1
0.237
MAR-TRE-85681e92-60
0.236
MAT-POS-2db6411e-1
0.236
MAR-TRE-85681e92-38
0.236
MAR-TRE-3724962b-29
0.235
NAU-LAT-81109c57-3
0.234
MAR-TRE-4f39ef4a-34
0.234
JOH-MSK-a63bdd1d-1
0.232
MAR-TRE-85681e92-20
0.231
MAR-TRE-85681e92-33
0.230
MAT-POS-90fd5f68-18
0.229
JAN-GHE-c863d918-1
0.228
MAK-UNK-10572812-17
0.227
GAB-REV-4a4e2ff3-17
0.226
MAR-TRE-85681e92-45
0.225
MAK-UNK-10572812-14
0.221
ANT-OPE-ab37bd51-2
0.221
ELE-IMP-dfb36048-5
0.221
GAB-REV-4a4e2ff3-19
0.220
MAK-UNK-37f1d6fa-2
0.220
MAR-TRE-85681e92-53
0.220
MAR-TRE-36bf7dba-75
0.220
MAK-UNK-be5ffcbc-9
0.220
MAK-UNK-37f1d6fa-7
0.219
WIL-LEE-1f71e281-6
0.218
MAR-TRE-be9ff7d2-10
0.217
SAM-UNK-903735bd-2
0.216
TAM-UNI-c140e31a-15
0.216
PET-SGC-f818f65b-1
0.216
SIM-DEM-265738e1-1
0.216
ELE-IMP-dfb36048-1
0.216
MAR-TRE-fd17a9b8-41
0.216
ROB-UNI-b2e39629-2
0.215
MAK-UNK-10572812-15
0.214
KRI-MAR-d2e3ef86-14
0.214
MAR-TRE-fd17a9b8-1
0.214