Molecular Properties | |
SMILES: | CCNc1ccc(C#N)cc1Cc1ccc2c(c1)C(=O)CC2 |
MW: | 290.366 |
Fraction sp3: | 0.26 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 52.89 |
cLogP: | 3.70978 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Ketone
AAR-POS-d2a4d1df-30
MAK-UNK-516d8086-26
0.644
MAK-UNK-516d8086-5
0.610
MAK-UNK-516d8086-4
0.610
MAK-UNK-516d8086-32
0.570
KIM-UNI-7d12df64-2
0.420
ROB-UNI-b2e39629-1
0.390
ANT-DIA-b7f58f21-8
0.390
MAK-UNK-516d8086-16
0.371
DAR-DIA-fb20be43-3
0.364
MAK-UNK-516d8086-13
0.359
MAK-UNK-516d8086-3
0.355
GAB-REV-df64cf17-19
0.355
MAK-UNK-516d8086-9
0.348
MAK-UNK-516d8086-8
0.330
JAN-GHE-fd8d85a5-9
0.330
MAK-UNK-516d8086-22
0.326
MAK-UNK-ec98eaf6-21
0.323
MAK-UNK-516d8086-6
0.323
MAK-UNK-516d8086-1
0.323
JAN-GHE-fd8d85a5-7
0.314
MAK-UNK-516d8086-17
0.306
MAK-UNK-516d8086-10
0.299
PET-SGC-0f1d26ed-2
0.299
MAK-UNK-516d8086-11
0.296
GAB-REV-df64cf17-20
0.290
JAN-GHE-fd8d85a5-8
0.286
MAK-UNK-516d8086-2
0.284
MAK-UNK-516d8086-24
0.283
MAK-UNK-516d8086-25
0.280
MAK-UNK-516d8086-21
0.278
MAK-UNK-516d8086-23
0.267
JAN-GHE-fd8d85a5-1
0.267
JAN-GHE-fd8d85a5-4
0.266
MAK-UNK-516d8086-18
0.260
JON-UIO-066ce08b-10
0.253
TAM-UNI-d1c3dd9f-18
0.253
MAK-UNK-516d8086-19
0.248
JAN-GHE-fd8d85a5-6
0.247
MAK-UNK-516d8086-7
0.245
KIM-UNI-7d12df64-1
0.244
JAN-GHE-fd8d85a5-10
0.244
JAN-GHE-fd8d85a5-5
0.242
ANT-DIA-b7f58f21-9
0.240
MAK-UNK-516d8086-20
0.238
PET-SGC-0f1d26ed-1
0.234
MAK-UNK-148caf23-5
0.233
NIR-THE-0d6461ce-6
0.232
PAT-UNK-b2d83456-1
0.230
DAR-DIA-fb20be43-4
0.229
BRU-LEF-ae0885ba-1
0.229
PAU-UNI-52c0427f-1
0.229
VLA-UNK-8e76d113-3
0.227
TAM-UNI-d1c3dd9f-17
0.227
THO-SYG-cc9e9a11-4
0.226
TRY-UNI-1fd04853-2
0.224
AAR-POS-d2a4d1df-5
0.224
BEN-DND-362d364a-3
0.223
GAB-REV-df64cf17-1
0.222
JAN-GHE-fd8d85a5-12
0.221
PET-SGC-9a4d8c0f-1
0.221
PET-SGC-175e168c-1
0.220
TRY-UNI-1fd04853-1
0.220
GAB-REV-df64cf17-15
0.220
GAB-REV-df64cf17-10
0.217
PET-UNK-4d432d33-8
0.217
PET-UNK-4d432d33-4
0.217
PET-SGC-6062269a-1
0.216
GAB-REV-df64cf17-18
0.216
IND-SYN-2c708b29-5
0.215
IND-SYN-aa221fbf-1
0.215
IND-SYN-2c708b29-4
0.215
PET-SGC-39d74636-2
0.215
JAN-UNI-2e92c4b1-3
0.215
GAB-REV-df64cf17-14
0.215
GAB-REV-df64cf17-9
0.214
PET-SGC-0ecb2cfe-1
0.214
GAB-REV-df64cf17-2
0.214
GAB-REV-df64cf17-22
0.214
BEN-DND-362d364a-6
0.213
PET-SGC-90aed325-1
0.213
MAK-UNK-f2409524-36
0.213
THO-SYG-cc9e9a11-3
0.213
WIL-LEE-1f71e281-1
0.212
JOR-UNI-61e7b1d5-1
0.212
ALP-POS-fe871b40-4
0.212
VLA-UNK-8e76d113-4
0.212
GAB-REV-df64cf17-21
0.210
SAD-SAT-24589cd1-3
0.210
SAD-SAT-cefd50cc-10
0.210
PET-SGC-f147f0b6-1
0.209
LIZ-THE-7023c732-2
0.209
NIR-THE-0d6461ce-7
0.208
MAR-TRE-fffca54f-13
0.208
SAD-SAT-24589cd1-9
0.207
PHI-UNK-c3ab17cb-1
0.206
TRY-UNI-714a760b-20
0.206
RAL-THA-2d450e86-5
0.206
MED-COV-4280ac29-34
0.205
JAN-UNI-2e92c4b1-4
0.204
BEN-DND-61647d40-8
0.204