Molecular Properties | |
SMILES: | CS(=O)(=O)NCCc1c[nH]c2c(CCNS(C)(=O)=O)cc(Cl)cc12 |
MW: | 393.918 |
Fraction sp3: | 0.43 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 108.13 |
cLogP: | 1.0047 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
BEN-DND-362d364a-8
0.810
ROB-UNI-b2e39629-4
0.810
ELE-IMP-dfb36048-5
0.533
HAN-NEW-5f56c3bc-2
0.529
NAU-LAT-0543f7f2-4
0.525
ELE-IMP-dfb36048-1
0.522
PET-SGC-f818f65b-1
0.522
SAM-UNK-903735bd-2
0.522
TAM-UNI-c140e31a-15
0.522
SIM-DEM-265738e1-1
0.522
BEN-DND-362d364a-9
0.456
ELE-IMP-dfb36048-2
0.451
CAL-AMP-9edebd8f-1
0.451
DUN-NEW-f8ce3686-10
0.451
MAR-UNI-9ca61fdc-1
0.400
SAM-UNK-83e03154-2
0.388
DAR-DIA-fb20be43-15
0.386
JAN-GHE-6413aaf8-7
0.381
ROB-UNI-b2e39629-9
0.380
ROB-UNI-b2e39629-6
0.378
NAU-LAT-30527ac5-5
0.360
NAU-LAT-0543f7f2-3
0.360
NAU-LAT-30527ac5-6
0.340
NAU-LAT-30527ac5-4
0.337
ANT-DIA-b7f58f21-3
0.323
SHR-UNK-cde60afe-1
0.320
MAR-TRE-be9ff7d2-39
0.317
SIM-DEM-5935bd74-1
0.307
PET-SGC-85e821e4-2
0.307
DUN-NEW-f8ce3686-21
0.304
MAK-UNK-27459e11-7
0.303
WIL-LEE-1f71e281-6
0.300
SAN-PRS-3c4a6997-1
0.297
MAK-UNK-27459e11-8
0.294
BEN-DND-362d364a-7
0.294
ANT-DIA-b7f58f21-8
0.292
ROB-UNI-b2e39629-1
0.292
GAB-REV-4a4e2ff3-19
0.290
PET-SGC-90aed325-1
0.288
BEN-DND-362d364a-6
0.288
WAR-XCH-6eb0722e-4
0.287
ELE-IMP-dfb36048-4
0.282
MAK-UNK-27459e11-10
0.282
ANT-DIA-b7f58f21-5
0.281
ROB-UNI-b2e39629-7
0.280
AAR-POS-d2a4d1df-1
0.279
ROB-UNI-b2e39629-3
0.278
DAR-DIA-eace69ff-34
0.278
MAK-UNK-27459e11-16
0.277
ELE-IMP-dfb36048-3
0.276
MAK-UNK-27459e11-9
0.273
MAK-UNK-be5ffcbc-9
0.273
TAM-UNI-c140e31a-20
0.273
MAK-UNK-10799360-31
0.272
NIR-THE-0d6461ce-2
0.272
PAT-UNK-b2d83456-5
0.270
JOH-MSK-d60b0211-1
0.270
ANT-DIA-b7f58f21-2
0.269
ASH-UNK-40b46b30-6
0.268
MAK-UNK-be5ffcbc-2
0.267
DAR-DIA-caba39e3-5
0.267
MAK-UNK-ec98eaf6-33
0.266
ROB-UNI-b2e39629-10
0.264
MAK-UNK-be5ffcbc-4
0.264
JOH-CHE-3504ac3d-2
0.264
DAR-DIA-fb20be43-11
0.264
JOK-SYG-302da050-1
0.264
STU-CHA-bc0a9883-1
0.264
NAU-LAT-f723e322-1
0.264
ASH-UNK-40b46b30-5
0.261
WAR-XCH-6eb0722e-5
0.261
SAM-UNK-903735bd-1
0.261
JOK-SYG-b7365cd7-1
0.259
ORN-MSD-5b974918-1
0.255
JOK-SYG-b9f02a42-1
0.255
DAR-DIA-fb20be43-14
0.255
SER-UNI-985a0e14-1
0.255
ANT-DIA-b7f58f21-1
0.254
ANT-DIA-b7f58f21-7
0.253
ANT-OPE-47f3bb65-1
0.253
LON-WEI-b8d98729-34
0.253
TOM-OIS-cbf37265-2
0.253
PAT-UNK-b2d83456-4
0.253
NAU-LAT-81109c57-3
0.253
GAB-REV-4a4e2ff3-8
0.253
TAM-UNI-c140e31a-2
0.253
GAB-REV-4a4e2ff3-15
0.253
JPB-FNM-6f110b99-1
0.253
DAR-DIA-eace69ff-31
0.250
DUN-NEW-f8ce3686-24
0.250
JOK-SYG-b9f02a42-2
0.250
ANT-DIA-b7f58f21-9
0.250
MAK-UNK-27459e11-15
0.250
JOK-SYG-b9f02a42-3
0.247
MAK-UNK-ec98eaf6-47
0.247
NAU-LAT-f723e322-2
0.247
ROB-UNI-b2e39629-5
0.247
DUN-NEW-f8ce3686-11
0.247
DAR-DIA-eace69ff-37
0.243
GAB-REV-4a4e2ff3-10
0.243