Molecular Properties | |
SMILES: | O=C(Cn1cccn1)Nc1cccc(N2CCCS2(=O)=O)c1 |
MW: | 320.374 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 84.3 |
cLogP: | 1.0617 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z408836004 |
Enamine Extended REAL: | s_22____731116____152169 |
Mcule: | MCULE-7077300508 |
AAR-POS-d2a4d1df-4
SWA-SYN-6423ea73-8
1.000
IND-SYN-6c8299e8-8
0.647
SWA-SYN-d2e6fa14-10
0.647
SWA-SYN-6423ea73-9
0.647
MAR-TRE-799db12b-76
0.411
MAK-UNK-7a704a63-9
0.337
MAK-UNK-7a704a63-10
0.337
AAR-POS-0daf6b7e-11
0.337
LON-WEI-8f408cad-1
0.337
SAD-SAT-24589cd1-2
0.322
JAG-UCB-252a2f58-1
0.299
MAR-TRE-799db12b-40
0.295
MAK-UNK-7a704a63-8
0.289
MAK-UNK-c8c8f7e2-15
0.289
MAK-UNK-7a704a63-12
0.289
MAK-UNK-1e8f9e3c-3
0.289
MAK-UNK-1e8f9e3c-5
0.289
MAK-UNK-c8c8f7e2-29
0.287
SWA-SYN-d2e6fa14-3
0.286
SWA-SYN-6423ea73-3
0.286
MAR-TRE-a9136c7b-57
0.284
MAK-UNK-c8c8f7e2-17
0.284
MAK-UNK-c8c8f7e2-25
0.284
MAK-UNK-6435e6c2-4
0.277
MAR-TRE-a9136c7b-42
0.277
MAR-TRE-6a44bbf2-3
0.275
MAK-UNK-7a704a63-2
0.274
MAK-UNK-c8c8f7e2-14
0.274
MAK-UNK-7a704a63-13
0.274
MAK-UNK-c8c8f7e2-26
0.274
MAK-UNK-c8c8f7e2-30
0.274
MAK-UNK-c8c8f7e2-22
0.273
AHN-SAT-de2502ba-6
0.273
MAR-TRE-6a44bbf2-43
0.273
MAK-UNK-9159f8ed-4
0.271
MAK-UNK-c8c8f7e2-27
0.271
AAR-UNI-c25c2f1e-87
0.270
MAK-UNK-c8c8f7e2-23
0.270
MAK-UNK-7a704a63-15
0.270
MAK-UNK-c8c8f7e2-21
0.267
AAR-POS-d2a4d1df-38
0.267
AHN-SAT-de2502ba-5
0.267
MAK-UNK-c8c8f7e2-18
0.267
MAK-UNK-1e8f9e3c-4
0.265
MAK-UNK-c8c8f7e2-16
0.264
IND-SYN-6c8299e8-7
0.263
ALP-POS-95f71980-28
0.262
MAK-UNK-9159f8ed-1
0.262
MAK-UNK-10dfa458-3
0.261
MAK-UNK-10dfa458-22
0.261
BAR-COM-0f94fc3d-53
0.260
MAK-UNK-c8c8f7e2-24
0.258
MAK-UNK-7a704a63-14
0.258
MAK-UNK-c8c8f7e2-28
0.258
JAN-GHE-1d98ec1c-7
0.258
LON-WEI-b8d98729-4
0.258
MAK-UNK-7a704a63-3
0.256
MAK-UNK-c8c8f7e2-13
0.256
MAK-UNK-c8c8f7e2-43
0.256
MAR-TRE-2fd8122f-78
0.256
BEN-DND-61647d40-11
0.255
MAK-UNK-c8c8f7e2-42
0.253
MAR-TRE-67513f76-73
0.253
MAT-POS-bfb445d4-1
0.253
MAT-POS-3b92565d-14
0.253
BEN-DND-61647d40-12
0.253
BEN-DND-02317c5c-12
0.253
BAR-COM-4e090d3a-58
0.253
SAD-SAT-f25ee457-1
0.250
MAK-UNK-10dfa458-32
0.250
BAR-COM-4e090d3a-60
0.250
MAR-TRE-9c797165-2
0.250
MAR-TRE-d0525fbf-58
0.248
MAK-UNK-1e8f9e3c-1
0.248
MAK-UNK-9159f8ed-6
0.248
BEN-DND-61647d40-14
0.247
WIL-LEE-23e8b574-8
0.247
IND-SYN-6c8299e8-9
0.247
RAL-MED-2de63afb-11
0.247
SAD-SAT-1b030f84-10
0.247
MAK-UNK-7a704a63-1
0.247
MAR-TRE-d0525fbf-48
0.245
MAR-TRE-3e4e6814-29
0.245
NIM-UNI-02269248-2
0.245
MAR-TRE-74c6519b-31
0.245
MAR-TRE-2fd8122f-30
0.245
MAR-TRE-c317dd82-59
0.245
LON-WEI-120e5cf5-19
0.245
UNK-CYC-68f84b31-43
0.243
MAR-TRE-04c86cea-40
0.243
WAR-XCH-bdd24732-24
0.242
BEN-DND-61647d40-13
0.242
JIN-POS-6dc588a4-1
0.242
BEN-DND-02317c5c-11
0.242
MAR-TRE-b77b7921-91
0.242
MAR-TRE-2fd8122f-57
0.242
AAR-POS-0daf6b7e-38
0.241
WIL-LEE-23e8b574-6
0.241
UNK-CYC-68f84b31-32
0.240
MAK-UNK-1e8f9e3c-2
0.240