Molecular Properties | |
SMILES: | CCNc1nnc(C#N)cc1Cc1ccc2c(c1)C(=O)NC2 |
MW: | 293.33 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 90.7 |
cLogP: | 1.61428 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-30
MAK-UNK-516d8086-3
0.625
GAB-REV-df64cf17-19
0.625
MAK-UNK-516d8086-24
0.578
MAK-UNK-516d8086-17
0.571
MAK-UNK-516d8086-1
0.568
MAK-UNK-516d8086-4
0.561
MAK-UNK-516d8086-23
0.553
MAK-UNK-516d8086-10
0.548
MAK-UNK-516d8086-11
0.541
MAK-UNK-516d8086-8
0.536
MAK-UNK-516d8086-6
0.530
MAK-UNK-516d8086-16
0.518
MAK-UNK-516d8086-25
0.483
MAK-UNK-516d8086-2
0.482
GAB-REV-df64cf17-20
0.446
MAK-UNK-516d8086-9
0.422
MAK-UNK-516d8086-7
0.400
MAK-UNK-516d8086-18
0.383
MAK-UNK-516d8086-5
0.376
MAK-UNK-516d8086-13
0.372
MAK-UNK-516d8086-20
0.358
MAK-UNK-516d8086-21
0.347
MAK-UNK-516d8086-31
0.326
MAK-UNK-516d8086-32
0.320
MAK-UNK-516d8086-19
0.313
MAK-UNK-516d8086-26
0.292
GAB-REV-4a4e2ff3-10
0.259
GAB-REV-4a4e2ff3-4
0.254
MAR-TRE-8190bb11-86
0.232
GAB-REV-df64cf17-12
0.229
JAN-UNI-2e92c4b1-4
0.221
GAB-REV-df64cf17-3
0.219
JAN-GHE-fd8d85a5-1
0.216
GAB-REV-df64cf17-7
0.214
SAD-SAT-cefd50cc-10
0.214
GAB-REV-df64cf17-1
0.214
PET-SGC-f147f0b6-1
0.213
PET-SGC-175e168c-1
0.212
TRY-UNI-1fd04853-1
0.212
NIR-THE-0d6461ce-6
0.212
PET-SGC-9a4d8c0f-1
0.211
JAN-GHE-fd8d85a5-5
0.208
GAB-REV-df64cf17-9
0.206
MAK-UNK-148caf23-3
0.205
MAK-UNK-148caf23-4
0.205
PET-SGC-90aed325-1
0.204
BEN-DND-362d364a-6
0.204
TRY-UNI-1fd04853-2
0.204
JOR-UNI-61e7b1d5-13
0.203
KIM-UNI-7d12df64-2
0.202
JAN-GHE-fd8d85a5-6
0.202
TRY-UNI-2eddb1ff-6
0.202
RAL-THA-901e9a10-3
0.202
BEN-VAN-ed886787-19
0.202
JOR-UNI-61e7b1d5-15
0.202
PET-SGC-0f1d26ed-1
0.200
TRY-UNI-69298daf-2
0.200
NAU-LAT-3f5f3993-9
0.200
GAB-REV-df64cf17-13
0.200
GAB-REV-df64cf17-15
0.200
JOR-UNI-61e7b1d5-29
0.200
MAK-UNK-849bee6c-21
0.198
ANT-DIA-3c79be55-3
0.198
AAR-POS-d2a4d1df-5
0.198
MAK-UNK-148caf23-5
0.197
MAK-UNK-148caf23-21
0.197
JOR-UNI-61e7b1d5-21
0.197
DAR-DIA-fb20be43-4
0.196
PAU-UNI-52c0427f-1
0.196
BRU-LEF-ae0885ba-1
0.196
PET-SGC-34dcf0dc-1
0.196
MAK-UNK-148caf23-20
0.195
BEN-VAN-ed886787-4
0.195
BEN-VAN-ed886787-12
0.195
GAB-REV-df64cf17-2
0.194
JAN-GHE-fd8d85a5-4
0.194
PET-SGC-0f1d26ed-2
0.194
JAN-GHE-fd8d85a5-7
0.194
ANT-DIA-b7f58f21-8
0.194
ROB-UNI-b2e39629-1
0.194
MAK-UNK-9955b1f3-9
0.193
FEL-WAB-fb168420-3
0.193
BEN-VAN-ed886787-10
0.193
JOR-UNI-61e7b1d5-8
0.193
MIC-UNK-2744a8e2-2
0.193
JOR-UNI-61e7b1d5-1
0.192
MAK-UNK-148caf23-2
0.192
THO-SYG-98fc3427-4
0.192
JOR-UNI-61e7b1d5-4
0.192
JOR-UNI-61e7b1d5-19
0.192
DAR-DIA-bd041b9b-28
0.191
DAR-DIA-2b784ede-3
0.191
MAK-UNK-ec98eaf6-37
0.191
STE-DES-3b1afdbd-1
0.191
GAB-REV-df64cf17-6
0.191
MAK-UNK-148caf23-15
0.190
BEN-VAN-ed886787-13
0.190
BEN-VAN-ed886787-20
0.190
GAB-REV-df64cf17-4
0.189
MAK-UNK-148caf23-12
0.189