Molecular Properties | |
SMILES: | CCNc1ncc(C#N)cc1Cc1ccc2c(c1)C(=O)CC2 |
MW: | 291.354 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 65.78 |
cLogP: | 3.10478 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Ketone
AAR-POS-d2a4d1df-30
MAK-UNK-516d8086-32
0.680
MAK-UNK-516d8086-13
0.628
GAB-REV-df64cf17-19
0.620
MAK-UNK-516d8086-3
0.620
MAK-UNK-516d8086-31
0.610
MAK-UNK-516d8086-9
0.595
MAK-UNK-516d8086-26
0.564
MAK-UNK-516d8086-10
0.506
MAK-UNK-516d8086-11
0.500
MAK-UNK-516d8086-21
0.500
MAK-UNK-516d8086-17
0.494
MAK-UNK-516d8086-1
0.471
MAK-UNK-516d8086-19
0.438
MAK-UNK-516d8086-25
0.429
MAK-UNK-516d8086-20
0.427
PET-SGC-f147f0b6-1
0.418
JAN-GHE-fd8d85a5-1
0.415
MAK-UNK-516d8086-8
0.411
JAN-GHE-fd8d85a5-4
0.391
JAN-GHE-fd8d85a5-6
0.382
JAN-GHE-fd8d85a5-5
0.379
NIR-THE-0d6461ce-6
0.378
MAK-UNK-516d8086-22
0.376
BEN-DND-362d364a-6
0.375
PET-SGC-90aed325-1
0.375
JAN-UNI-2e92c4b1-4
0.373
PET-SGC-9a4d8c0f-1
0.372
PAU-UNI-52c0427f-1
0.364
DAR-DIA-fb20be43-4
0.364
BRU-LEF-ae0885ba-1
0.364
MAK-UNK-516d8086-2
0.363
GAB-REV-df64cf17-9
0.360
THO-SYG-98fc3427-4
0.356
MAK-UNK-516d8086-4
0.355
JAN-UNI-2e92c4b1-3
0.353
PET-SGC-39d74636-2
0.353
GAB-REV-df64cf17-1
0.352
GAB-REV-df64cf17-20
0.351
GAB-REV-df64cf17-15
0.348
JAN-UNI-2e92c4b1-5
0.337
GAB-REV-df64cf17-21
0.337
PET-SGC-175e168c-1
0.333
TRY-UNI-1fd04853-1
0.333
MAK-UNK-516d8086-7
0.333
THO-SYG-98fc3427-7
0.330
BEN-DND-362d364a-3
0.327
MAK-UNK-516d8086-23
0.327
MAK-UNK-ec98eaf6-22
0.323
MAK-UNK-516d8086-18
0.320
MAK-UNK-516d8086-16
0.319
LIZ-THE-7023c732-2
0.318
MAK-UNK-ec98eaf6-37
0.316
MAK-UNK-516d8086-24
0.303
MAK-UNK-516d8086-6
0.302
THO-SYG-98fc3427-5
0.300
GAB-REV-df64cf17-3
0.299
PET-SGC-0f1d26ed-1
0.297
GAB-REV-df64cf17-22
0.296
GAB-REV-df64cf17-14
0.294
PET-SGC-34dcf0dc-1
0.290
GAB-REV-df64cf17-7
0.288
GAB-REV-df64cf17-4
0.287
GAB-REV-df64cf17-10
0.284
GAB-REV-df64cf17-2
0.283
GAB-REV-df64cf17-12
0.283
THO-SYG-98fc3427-6
0.281
NIR-THE-0d6461ce-7
0.278
GAB-REV-df64cf17-6
0.277
GAB-REV-df64cf17-17
0.277
TRY-UNI-1fd04853-2
0.271
JOR-UNI-61e7b1d5-1
0.271
MED-COV-4280ac29-34
0.269
SAD-SAT-cefd50cc-10
0.268
LIZ-THE-7023c732-1
0.267
GAB-REV-df64cf17-8
0.267
AAR-POS-d2a4d1df-5
0.267
JAN-GHE-fd8d85a5-11
0.266
GAB-REV-df64cf17-18
0.260
PAU-WEI-f734c343-3
0.259
JOR-UNI-61e7b1d5-15
0.259
KIM-UNI-7d12df64-2
0.258
GAB-REV-df64cf17-16
0.257
JOR-UNI-61e7b1d5-29
0.257
JOR-UNI-61e7b1d5-21
0.255
GAB-REV-df64cf17-13
0.253
MAK-UNK-ec98eaf6-15
0.252
JOR-UNI-61e7b1d5-13
0.250
SID-ELM-433ea7f3-1
0.250
MAK-UNK-148caf23-4
0.248
JOR-UNI-61e7b1d5-4
0.248
JOR-UNI-61e7b1d5-19
0.248
MAR-UNI-9d4da90d-2
0.247
JOR-UNI-61e7b1d5-23
0.243
JOR-UNI-61e7b1d5-31
0.243
JOR-UNI-61e7b1d5-8
0.241
GAB-REV-df64cf17-11
0.240
JOR-UNI-61e7b1d5-17
0.239
SID-ELM-433ea7f3-2
0.239
JAN-GHE-fd8d85a5-7
0.237
JOR-UNI-61e7b1d5-6
0.235