Molecular Properties | |
SMILES: | CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 |
MW: | 295.408 |
Fraction sp3: | 0.43 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 65.2 |
cLogP: | 1.3212 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-123008 |
Mcule: | MCULE-7681278182 |
MolPort: | MolPort-003-850-372 |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | 2020-04-09 |
Hetero_hetero
AAR-POS-d2a4d1df-2
TOM-OIS-cbf37265-2
1.000
LON-WEI-b8d98729-34
1.000
ANT-OPE-47f3bb65-2
0.746
ANT-OPE-47f3bb65-3
0.733
MAR-TRE-fffca54f-95
0.541
ANT-OPE-47f3bb65-4
0.538
ANT-OPE-47f3bb65-5
0.530
JOH-MSK-a63bdd1d-9
0.508
MAR-UCB-195bc32d-19
0.508
MAR-UCB-195bc32d-23
0.492
MAR-TRE-3724962b-25
0.473
JOH-MSK-a63bdd1d-10
0.422
MAR-UNI-9ca61fdc-1
0.355
MAR-TRE-85681e92-10
0.341
JOH-MSK-a63bdd1d-5
0.333
MAR-TRE-85681e92-12
0.329
AAR-POS-d2a4d1df-2
0.329
DAR-DIA-eace69ff-35
0.329
TOM-OIS-cbf37265-3
0.326
NAU-LAT-81109c57-8
0.321
TOM-OIS-cbf37265-1
0.319
JAR-IMP-ed466bb3-19
0.317
JOH-MEM-4bb7e4cc-1
0.316
DUN-NEW-f8ce3686-12
0.316
MAT-GIT-deadff56-1
0.316
MAR-UCB-195bc32d-16
0.316
JOH-MSK-a63bdd1d-4
0.316
DAR-DIA-eace69ff-36
0.314
SAN-PRS-3c4a6997-1
0.312
SAN-PRS-3c4a6997-4
0.312
JOH-MSK-a63bdd1d-7
0.306
ALE-ACE-2610ee4d-1
0.304
MAR-UCB-195bc32d-21
0.304
JOH-MSK-35a8745a-1
0.304
NAU-LAT-81109c57-1
0.301
MAR-UCB-195bc32d-5
0.300
MAK-UNK-be5ffcbc-8
0.300
GAB-REV-4a4e2ff3-12
0.298
DAR-DIA-eace69ff-37
0.296
MAK-UNK-be5ffcbc-7
0.286
ABI-SAT-30e287c1-2
0.286
MAK-UNK-be5ffcbc-3
0.280
SCO-VAN-260d9628-5
0.278
MAR-TRE-d3c2bf0e-32
0.271
NAU-LAT-81109c57-4
0.269
MAK-UNK-be5ffcbc-1
0.267
JOH-MEM-5e386bbd-7
0.264
NAU-LAT-81109c57-2
0.264
MAR-TRE-be9ff7d2-73
0.264
MAR-TRE-04c86cea-51
0.263
MAR-TRE-92684b97-67
0.261
MAR-TRE-c317dd82-56
0.261
SAN-PRS-3c4a6997-2
0.260
MAR-TRE-4f39ef4a-26
0.258
MAR-UCB-195bc32d-4
0.256
MAR-TRE-85681e92-60
0.256
FRA-LAB-04e32718-1
0.255
JOH-MSK-a63bdd1d-6
0.255
ROB-UNI-b2e39629-2
0.253
MAR-TRE-fd17a9b8-35
0.253
MAR-TRE-3724962b-29
0.252
JAN-GHE-c863d918-1
0.247
ABI-SAT-aa268ad7-2
0.247
AAR-UNI-c25c2f1e-73
0.245
AMI-SHA-0ab64bbd-1
0.244
AMI-SHA-be6e1b75-1
0.244
MAR-TRE-4f781e27-99
0.244
ELE-IMP-dfb36048-5
0.244
MAK-UNK-10572812-17
0.243
MAK-UNK-10dfa458-15
0.243
GAB-REV-4a4e2ff3-17
0.243
MAR-TRE-85681e92-38
0.242
MAT-POS-2db6411e-1
0.242
NAU-LAT-81109c57-3
0.240
GAB-REV-4a4e2ff3-8
0.240
GAB-REV-4a4e2ff3-19
0.238
MAK-UNK-37f1d6fa-2
0.238
MAK-UNK-10572812-14
0.237
MAR-TRE-4f39ef4a-51
0.237
MAR-TRE-85681e92-20
0.237
MAR-TRE-be9ff7d2-10
0.237
PET-SGC-f818f65b-1
0.236
SAM-UNK-903735bd-2
0.236
SIM-DEM-265738e1-1
0.236
TAM-UNI-c140e31a-15
0.236
WIL-LEE-364b6ea8-13
0.236
ELE-IMP-dfb36048-1
0.236
JOH-MSK-a63bdd1d-2
0.236
MAK-UNK-176ca439-5
0.236
MAK-UNK-37f1d6fa-7
0.236
MAK-UNK-72b7ba6b-1
0.236
MAR-TRE-4f39ef4a-31
0.234
MAR-TRE-4f39ef4a-57
0.234
MAK-UNK-37f1d6fa-4
0.231
MAR-TRE-85681e92-45
0.231
MAK-UNK-10572812-15
0.230
MAK-UNK-37f1d6fa-3
0.229
MAK-UNK-10572812-16
0.228
ANT-OPE-ab37bd51-2
0.227
MAR-TRE-4f39ef4a-34
0.227