Molecular Properties | |
SMILES: | CCCc1ncc(C#N)cc1Cc1ccc2c(c1)C(=O)NC2 |
MW: | 291.354 |
Fraction sp3: | 0.28 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 65.78 |
cLogP: | 2.73998 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-30
MAK-UNK-516d8086-3
0.697
GAB-REV-df64cf17-19
0.697
MAK-UNK-516d8086-1
0.658
MAK-UNK-516d8086-2
0.645
MAK-UNK-516d8086-32
0.628
MAK-UNK-516d8086-16
0.623
MAK-UNK-516d8086-10
0.613
MAK-UNK-516d8086-11
0.605
MAK-UNK-516d8086-4
0.588
MAK-UNK-516d8086-25
0.578
MAK-UNK-516d8086-17
0.578
MAK-UNK-516d8086-22
0.536
GAB-REV-df64cf17-20
0.535
MAK-UNK-516d8086-23
0.523
MAK-UNK-516d8086-24
0.494
MAK-UNK-516d8086-6
0.482
MAK-UNK-516d8086-9
0.477
MAK-UNK-516d8086-7
0.471
MAK-UNK-516d8086-18
0.449
MAK-UNK-516d8086-20
0.422
MAK-UNK-516d8086-13
0.422
MAK-UNK-516d8086-5
0.411
MAK-UNK-516d8086-21
0.411
MAK-UNK-516d8086-19
0.372
MAK-UNK-516d8086-26
0.352
MAK-UNK-516d8086-31
0.330
JAN-GHE-fd8d85a5-1
0.286
PET-SGC-9a4d8c0f-1
0.286
GAB-REV-df64cf17-1
0.278
PET-SGC-90aed325-1
0.276
BEN-DND-362d364a-6
0.276
NIR-THE-0d6461ce-6
0.276
GAB-REV-df64cf17-9
0.271
JAN-GHE-fd8d85a5-6
0.265
JAN-UNI-2e92c4b1-4
0.264
TRY-UNI-1fd04853-1
0.263
PET-SGC-175e168c-1
0.263
GAB-REV-df64cf17-7
0.262
JAN-UNI-2e92c4b1-3
0.261
PET-SGC-39d74636-2
0.261
JAN-GHE-fd8d85a5-5
0.260
PAU-UNI-52c0427f-1
0.260
BRU-LEF-ae0885ba-1
0.260
DAR-DIA-fb20be43-4
0.260
JAN-GHE-fd8d85a5-4
0.258
GAB-REV-df64cf17-3
0.257
PET-SGC-f147f0b6-1
0.256
GAB-REV-df64cf17-2
0.255
GAB-REV-df64cf17-12
0.255
PET-SGC-0f1d26ed-1
0.253
NIR-THE-0d6461ce-7
0.250
GAB-REV-df64cf17-15
0.250
BEN-DND-362d364a-3
0.248
MAR-TRE-8190bb11-86
0.247
PET-SGC-34dcf0dc-1
0.247
AAR-POS-d2a4d1df-5
0.247
MAK-UNK-148caf23-4
0.246
JOR-UNI-61e7b1d5-4
0.246
JOR-UNI-61e7b1d5-29
0.243
MAK-UNK-ec98eaf6-22
0.243
TRY-UNI-1fd04853-2
0.242
JOR-UNI-61e7b1d5-1
0.242
LIZ-THE-7023c732-2
0.242
JOR-UNI-61e7b1d5-27
0.241
SAD-SAT-cefd50cc-10
0.240
GAB-REV-df64cf17-21
0.240
MAK-UNK-ec98eaf6-37
0.238
GAB-REV-df64cf17-6
0.238
GAB-REV-df64cf17-13
0.238
JOR-UNI-61e7b1d5-17
0.237
JOR-UNI-61e7b1d5-25
0.237
JAN-GHE-fd8d85a5-11
0.237
JOR-UNI-61e7b1d5-13
0.237
GAB-REV-df64cf17-4
0.236
THO-SYG-98fc3427-6
0.235
JOR-UNI-61e7b1d5-15
0.235
THO-SYG-98fc3427-4
0.235
GAB-REV-4a4e2ff3-4
0.235
JAN-UNI-2e92c4b1-5
0.234
TRY-UNI-1fd04853-3
0.234
GAB-REV-df64cf17-18
0.233
JOR-UNI-61e7b1d5-6
0.233
MED-COV-4280ac29-34
0.232
GAB-REV-df64cf17-14
0.231
THO-SYG-98fc3427-5
0.231
JOR-UNI-61e7b1d5-23
0.231
JOR-UNI-61e7b1d5-31
0.231
GAB-REV-df64cf17-22
0.231
JOR-UNI-61e7b1d5-21
0.230
MAR-UNI-9d4da90d-2
0.230
BEN-DND-61647d40-7
0.229
GAB-REV-4a4e2ff3-10
0.229
GAB-REV-df64cf17-8
0.229
JOR-UNI-61e7b1d5-8
0.227
DAR-DIA-fb20be43-17
0.227
THO-SYG-98fc3427-7
0.227
JOR-UNI-61e7b1d5-19
0.224
JOR-UNI-61e7b1d5-11
0.224
DAR-DIA-23aa0b97-4
0.223
DAR-DIA-23aa0b97-6
0.223