Molecular Properties | |
SMILES: | COc1ccc2[nH]cc(CCNS(C)(=O)=O)c2c1 |
MW: | 268.338 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 71.19 |
cLogP: | 1.2682 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z1316790959 |
Mcule: | MCULE-6206385471 |
MolPort: | MolPort-002-508-834 |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | 2020-04-09 |
Hetero_hetero
JOH-MSK-35a8745a-1
0.645
ALE-ACE-2610ee4d-1
0.645
MAR-UCB-195bc32d-21
0.645
JOH-MSK-a63bdd1d-7
0.603
MAR-UCB-195bc32d-23
0.574
MAR-TRE-be9ff7d2-73
0.541
DAR-DIA-eace69ff-35
0.533
MAR-TRE-d3c2bf0e-32
0.507
JOH-MSK-a63bdd1d-5
0.486
MAR-TRE-85681e92-12
0.474
MAR-TRE-85681e92-20
0.425
ELE-IMP-dfb36048-5
0.412
ROB-UNI-b2e39629-2
0.400
MAR-UCB-195bc32d-16
0.394
JOH-MSK-a63bdd1d-4
0.394
MAR-TRE-4f39ef4a-34
0.388
MAR-TRE-c317dd82-38
0.388
JOH-MSK-a63bdd1d-6
0.386
JOH-MEM-4bb7e4cc-1
0.373
MAT-GIT-deadff56-1
0.373
DUN-NEW-f8ce3686-12
0.373
SAN-PRS-3c4a6997-1
0.370
AAR-POS-d2a4d1df-2
0.370
JOH-MSK-a63bdd1d-2
0.362
WIL-LEE-364b6ea8-13
0.362
TOM-OIS-cbf37265-2
0.355
LON-WEI-b8d98729-34
0.355
ANT-OPE-47f3bb65-1
0.355
NAU-LAT-81109c57-1
0.354
ELE-IMP-dfb36048-2
0.354
DUN-NEW-f8ce3686-10
0.354
CAL-AMP-9edebd8f-1
0.354
MAK-UNK-27459e11-9
0.354
BEN-DND-362d364a-8
0.346
ROB-UNI-b2e39629-4
0.346
PET-SGC-f818f65b-1
0.346
TAM-UNI-c140e31a-15
0.346
ELE-IMP-dfb36048-1
0.346
SAM-UNK-903735bd-2
0.346
SIM-DEM-265738e1-1
0.346
ANT-OPE-47f3bb65-2
0.342
ANT-OPE-47f3bb65-4
0.338
JOH-MSK-a63bdd1d-1
0.338
MAK-UNK-be5ffcbc-8
0.338
ANT-OPE-47f3bb65-5
0.333
HAN-NEW-5f56c3bc-2
0.333
MAR-TRE-92684b97-67
0.325
NAU-LAT-81109c57-8
0.325
MAR-UCB-195bc32d-19
0.324
JOH-MSK-a63bdd1d-9
0.324
MAK-UNK-27459e11-7
0.324
ANT-DIA-b7f58f21-3
0.323
AAR-POS-d2a4d1df-1
0.323
MAR-UCB-195bc32d-20
0.321
ANT-OPE-47f3bb65-3
0.321
MAK-UNK-27459e11-10
0.319
ASH-UNK-40b46b30-6
0.317
SAN-PRS-3c4a6997-4
0.316
MAK-UNK-27459e11-8
0.314
SIM-DEM-5935bd74-1
0.308
PET-SGC-85e821e4-2
0.308
MAR-TRE-c317dd82-56
0.307
JOH-MSK-ec639444-3
0.307
MAR-TRE-d3c2bf0e-19
0.305
JAN-GHE-6413aaf8-7
0.304
BEN-DND-362d364a-9
0.304
MAR-TRE-be9ff7d2-7
0.303
NAU-LAT-81109c57-4
0.300
FRA-LAB-04e32718-1
0.300
NAU-LAT-0543f7f2-4
0.299
MAK-UNK-be5ffcbc-1
0.299
SCO-VAN-260d9628-5
0.299
MAK-UNK-27459e11-16
0.299
SAN-PRS-3c4a6997-2
0.297
MAK-UNK-be5ffcbc-3
0.297
NAU-LAT-81109c57-2
0.295
ROB-UNI-b2e39629-1
0.293
ANT-DIA-b7f58f21-8
0.293
WAR-XCH-6eb0722e-5
0.292
SAM-UNK-83e03154-2
0.292
ANT-DIA-b7f58f21-2
0.290
ABI-SAT-30e287c1-2
0.289
ANT-DIA-b7f58f21-7
0.289
MAK-UNK-be5ffcbc-7
0.289
WAR-XCH-6eb0722e-4
0.289
MAK-UNK-27459e11-15
0.288
MAT-POS-b5746674-65
0.287
JOH-MEM-5e386bbd-7
0.286
MAR-TRE-fd17a9b8-35
0.284
ROB-UNI-b2e39629-9
0.284
JAR-IMP-ed466bb3-19
0.283
MAR-TRE-3724962b-25
0.283
MAR-TRE-85681e92-10
0.282
DAR-DIA-eace69ff-37
0.282
DAR-DIA-eace69ff-36
0.282
SHR-UNK-cde60afe-1
0.282
JOH-MEM-5e386bbd-4
0.278
AUS-ARG-7cfdce8f-4
0.277
MAR-UCB-195bc32d-4
0.276
ANT-DIA-b7f58f21-1
0.275