Molecular Properties | |
SMILES: | CC(=O)NCc1c[nH]c2ccc(C#N)cc12 |
MW: | 213.24 |
Fraction sp3: | 0.17 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 68.68 |
cLogP: | 1.67568 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
JOH-MEM-4bb7e4cc-1
0.656
MAT-GIT-deadff56-1
0.656
DUN-NEW-f8ce3686-12
0.656
JAN-GHE-c863d918-1
0.527
MAT-POS-2db6411e-1
0.447
JOH-MSK-35a8745a-1
0.389
MAR-UCB-195bc32d-21
0.389
ALE-ACE-2610ee4d-1
0.389
MAR-UCB-195bc32d-16
0.386
JOH-MSK-a63bdd1d-4
0.386
SAN-PRS-3c4a6997-1
0.380
AAR-POS-d2a4d1df-2
0.380
DAR-DIA-eace69ff-37
0.369
DAR-DIA-eace69ff-36
0.369
ROB-UNI-b2e39629-7
0.354
PET-SGC-708ec5d8-1
0.351
JOH-MSK-a63bdd1d-5
0.346
SAN-PRS-3c4a6997-2
0.343
SCO-VAN-260d9628-7
0.341
MAT-GIT-deadff56-2
0.338
WIL-LEE-1f71e281-1
0.333
ABI-SAT-30e287c1-2
0.333
ANT-OPE-ab37bd51-2
0.329
SAN-PRS-3c4a6997-4
0.324
SCO-VAN-260d9628-8
0.321
TRY-UNI-1fd04853-6
0.321
GAB-REV-df64cf17-18
0.318
MAR-TRE-c317dd82-56
0.314
SCO-VAN-260d9628-6
0.310
NIC-BIO-3276ca7f-2
0.310
JOH-MSK-d60b0211-1
0.307
PAT-UNK-b2d83456-5
0.307
TRY-UNI-1fd04853-8
0.305
ROB-UNI-b2e39629-8
0.302
MAR-UCB-195bc32d-4
0.301
MAR-UCB-195bc32d-22
0.301
ROB-UNI-b2e39629-12
0.301
AMI-SHA-be6e1b75-1
0.300
AMI-SHA-0ab64bbd-1
0.300
TRY-UNI-1fd04853-10
0.299
MAR-UNI-9ca61fdc-1
0.299
NIC-BIO-3276ca7f-7
0.298
NAU-LAT-81109c57-1
0.296
MAK-UNK-be5ffcbc-8
0.295
JOH-MEM-5e386bbd-7
0.294
IND-SYN-2c708b29-4
0.292
DAR-DIA-23aa0b97-1
0.291
MAK-UNK-be5ffcbc-1
0.291
TRY-UNI-1fd04853-12
0.291
JOH-MSK-a63bdd1d-6
0.290
JOH-MSK-2d8052dc-1
0.290
JAR-IMP-ed466bb3-19
0.288
MAR-TRE-be9ff7d2-73
0.287
DAR-DIA-eace69ff-35
0.286
GAB-REV-4a4e2ff3-13
0.284
NAU-LAT-81109c57-8
0.284
MAK-UNK-be5ffcbc-9
0.282
JOH-MSK-a63bdd1d-7
0.282
JAN-GHE-fd8d85a5-11
0.280
MAK-UNK-72b7ba6b-1
0.280
MAK-UNK-176ca439-5
0.280
MAR-TRE-85681e92-12
0.279
ANT-OPE-47f3bb65-1
0.278
TOM-OIS-cbf37265-2
0.278
LON-WEI-b8d98729-34
0.278
JOH-MSK-a63bdd1d-1
0.278
JOH-MSK-a63bdd1d-9
0.278
MAR-UCB-195bc32d-19
0.278
MAK-UNK-10dfa458-15
0.275
MAR-TRE-85681e92-10
0.274
JPB-FNM-6f110b99-1
0.273
NAU-LAT-81109c57-2
0.273
ROB-UNI-b2e39629-10
0.273
MAR-TRE-85681e92-20
0.273
ANT-OPE-47f3bb65-5
0.273
MAT-GIT-deadff56-3
0.272
MAR-TRE-04c86cea-51
0.272
MAR-TRE-92684b97-67
0.271
MAR-UCB-195bc32d-23
0.270
ROB-UNI-b2e39629-5
0.270
DAR-DIA-23aa0b97-2
0.270
MAK-UNK-f983951f-23
0.269
MAR-UCB-195bc32d-9
0.266
PHI-UNK-c3ab17cb-1
0.265
DUN-NEW-f8ce3686-21
0.265
MAR-TRE-85681e92-38
0.264
MAK-UNK-be5ffcbc-6
0.264
NAU-LAT-81109c57-4
0.264
CUN-WAB-25b584ee-2
0.263
NAU-LAT-81109c57-7
0.263
PET-SGC-0f1d26ed-2
0.263
JAN-GHE-fd8d85a5-7
0.263
MAR-UCB-195bc32d-20
0.263
MAK-UNK-be5ffcbc-2
0.261
MAK-UNK-be5ffcbc-3
0.261
MAR-TRE-c317dd82-38
0.261
GAB-REV-4a4e2ff3-15
0.260
ANT-OPE-47f3bb65-4
0.260
JOH-MEM-5e386bbd-8
0.259
SAM-UNK-903735bd-2
0.259