Molecular Properties | |
SMILES: | NC(=O)/C=C/CN1CCC(C(=O)Nc2ccccc2)CC1 |
MW: | 287.363 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 75.43 |
cLogP: | 1.3786 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Activated double bonds (2)
vinyl michael acceptor1
BEN-DND-031a96cc-5
0.763
JAG-SYN-9c2cd0bd-14
0.590
JAG-SYN-9c2cd0bd-9
0.565
JAG-SYN-9c2cd0bd-4
0.516
JAG-SYN-9c2cd0bd-3
0.508
LON-WEI-120e5cf5-15
0.508
MAR-TRE-6a44bbf2-86
0.508
JAG-SYN-9c2cd0bd-8
0.493
JAG-SYN-9c2cd0bd-7
0.471
BEN-DND-031a96cc-3
0.412
BEN-DND-031a96cc-2
0.390
BEN-DND-031a96cc-1
0.388
BEN-DND-031a96cc-7
0.384
AAR-POS-0daf6b7e-32
0.382
LON-WEI-120e5cf5-20
0.356
JAG-SYN-9c2cd0bd-5
0.338
LON-WEI-120e5cf5-19
0.338
MAR-TRE-7f7bb9f0-26
0.337
LON-WEI-120e5cf5-10
0.329
LON-WEI-120e5cf5-11
0.316
MAR-TRE-3e4e6814-54
0.315
WIL-LEE-23e8b574-6
0.310
MAR-TRE-fd17a9b8-56
0.304
MAK-UNK-5d2caa6f-20
0.300
LON-WEI-120e5cf5-6
0.299
TAT-ENA-80bfd3e5-23
0.297
GIA-UNK-3f36037a-2
0.297
LON-WEI-120e5cf5-4
0.294
AAR-UNI-c25c2f1e-75
0.294
MAR-TRE-d0525fbf-90
0.293
DRA-CSI-0a78d9ba-1
0.291
KEI-TRE-d5e2018a-38
0.290
SAD-SAT-6b5a89f0-8
0.290
DRA-CSI-0a78d9ba-13
0.289
AHN-SAT-de2502ba-7
0.288
LON-WEI-120e5cf5-2
0.286
AAR-POS-0daf6b7e-44
0.286
MAR-TRE-f6f5f473-80
0.282
GIA-UNK-5ec6c2b8-3
0.282
GIA-UNK-3f36037a-7
0.279
MAR-TRE-6a44bbf2-15
0.278
AAR-POS-0daf6b7e-6
0.278
DRA-CSI-0a78d9ba-5
0.278
LON-WEI-120e5cf5-12
0.276
AAR-UNI-c25c2f1e-93
0.275
SAD-SAT-2fd372d1-8
0.274
BEN-DND-031a96cc-6
0.274
JAG-SYN-9c2cd0bd-6
0.272
LON-WEI-120e5cf5-16
0.272
MAK-UNK-3d7e3904-3
0.271
AAR-POS-5507155c-2
0.271
LON-WEI-120e5cf5-17
0.271
AAR-POS-f650c5f2-4
0.271
LON-WEI-120e5cf5-1
0.271
WAR-XCH-79d12f6e-3
0.270
DRA-CSI-0a78d9ba-10
0.270
ZAC-WAB-0847d168-1
0.269
DAN-MCD-a37c31cb-1
0.269
DAN-MCD-e5161b06-1
0.269
DAN-MCD-68a9aade-1
0.269
DRA-CSI-13f611db-1
0.269
DRA-CSI-3ab97369-13
0.269
JAN-GHE-1d98ec1c-10
0.268
MAR-TRE-04c86cea-19
0.267
KEI-TRE-d5e2018a-73
0.266
SAD-SAT-7d5528d9-7
0.266
LON-WEI-120e5cf5-9
0.266
WAR-XCH-b6889685-29
0.266
CHR-SOS-7098f804-9
0.266
DRA-CSI-0a78d9ba-12
0.265
MED-COV-4280ac29-17
0.265
LON-WEI-120e5cf5-3
0.265
MAR-TRE-14ce9fd6-61
0.264
AAR-UNI-c25c2f1e-45
0.262
AAR-UNI-c25c2f1e-3
0.261
MAR-TRE-2fd8122f-19
0.261
MAR-TRE-2fd8122f-29
0.261
JOH-SUS-bab12148-1
0.261
AHN-SAT-de2502ba-14
0.260
SAD-SAT-65574d3f-1
0.260
MAR-TRE-f5c2d31c-48
0.259
LON-WEI-120e5cf5-21
0.259
DRA-CSI-7ec17797-1
0.257
GIA-UNK-3f36037a-4
0.257
SID-ELM-2583a2cd-5
0.257
GIA-UNK-595fac82-5
0.256
MAK-UNK-3d7e3904-2
0.256
MAR-TRE-04c86cea-46
0.256
LON-WEI-120e5cf5-14
0.256
MAX-MCD-16e3709a-1
0.254
GIA-UNK-5ec6c2b8-5
0.253
WAR-XCH-b6889685-10
0.253
MAK-UNK-a7992eb3-7
0.253
MAR-TRE-3e4e6814-23
0.253
MAK-UNK-69bf97dd-4
0.253
MAR-TRE-3159af1a-24
0.252
DRA-CSI-0a78d9ba-2
0.252
GIA-UNK-5ec6c2b8-1
0.250
SIM-SYN-a98e6a07-2
0.250
MAR-TRE-9d18ae8c-34
0.250