Molecular Properties | |
SMILES: | CCn1cc(CCNC(C)=O)c2cc(C#N)cc(C(C)NC(C)=O)c21 |
MW: | 340.427 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 86.92 |
cLogP: | 2.40858 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
ROB-UNI-b2e39629-5
0.549
ROB-UNI-b2e39629-7
0.494
PET-SGC-708ec5d8-1
0.494
ROB-UNI-b2e39629-3
0.410
JOH-MEM-4bb7e4cc-1
0.369
MAT-GIT-deadff56-1
0.369
DUN-NEW-f8ce3686-12
0.369
ROB-UNI-b2e39629-12
0.364
ROB-UNI-b2e39629-6
0.356
TAM-UNI-d1c3dd9f-24
0.341
JOH-MSK-d60b0211-1
0.330
PAT-UNK-b2d83456-5
0.330
ROB-UNI-b2e39629-10
0.326
TAM-UNI-d1c3dd9f-23
0.319
SAN-PRS-3c4a6997-3
0.314
JOK-SYG-b7365cd7-1
0.309
SCO-VAN-260d9628-5
0.302
MAT-GIT-deadff56-2
0.300
JOH-MSK-2d8052dc-1
0.288
SAN-PRS-3c4a6997-1
0.287
AAR-POS-d2a4d1df-2
0.287
JOH-MSK-a63bdd1d-4
0.276
MAR-UCB-195bc32d-16
0.276
MAK-UNK-be5ffcbc-5
0.272
MAR-TRE-c317dd82-56
0.270
ROB-UNI-b2e39629-11
0.269
NAU-LAT-f723e322-2
0.269
DUN-NEW-f8ce3686-13
0.267
JOH-MSK-35a8745a-1
0.267
MAR-UCB-195bc32d-21
0.267
ALE-ACE-2610ee4d-1
0.267
JAN-GHE-fd8d85a5-11
0.266
ANT-OPE-81f9835f-1
0.264
JOH-MSK-a63bdd1d-1
0.264
HAN-NEW-5f56c3bc-2
0.263
DUN-NEW-f8ce3686-5
0.261
DUN-NEW-f8ce3686-6
0.261
SIM-DEM-5935bd74-3
0.261
JOH-MEM-5e386bbd-8
0.261
TAM-UNI-c140e31a-15
0.260
SAM-UNK-903735bd-2
0.260
BEN-DND-362d364a-8
0.260
ROB-UNI-b2e39629-4
0.260
ELE-IMP-dfb36048-1
0.260
PET-SGC-f818f65b-1
0.260
SIM-DEM-265738e1-1
0.260
SAN-PRS-3c4a6997-5
0.258
DUN-NEW-f8ce3686-8
0.257
FRA-DIA-8640f307-2
0.256
SAN-PRS-3c4a6997-2
0.256
MAK-UNK-be5ffcbc-9
0.253
JOH-MSK-a63bdd1d-5
0.253
MAK-UNK-be5ffcbc-6
0.253
TAM-UNI-d1c3dd9f-20
0.252
MAK-UNK-be5ffcbc-2
0.250
JOH-MSK-ec639444-3
0.250
JOH-MEM-5e386bbd-3
0.250
GAB-REV-4a4e2ff3-13
0.248
MAT-GIT-deadff56-3
0.248
TAM-UNI-d1c3dd9f-19
0.248
MAK-UNK-be5ffcbc-4
0.248
SAM-UNK-903735bd-1
0.245
MED-COV-4280ac29-21
0.243
NIR-THE-0d6461ce-2
0.243
MAR-TRE-3159af1a-94
0.242
ELE-IMP-dfb36048-2
0.240
CAL-AMP-9edebd8f-1
0.240
DUN-NEW-f8ce3686-10
0.240
ROB-UNI-b2e39629-9
0.238
WIL-LEE-1f71e281-6
0.237
WIL-LEE-364b6ea8-13
0.235
JOH-MSK-a63bdd1d-2
0.235
DUN-NEW-f8ce3686-11
0.233
ASH-UNK-40b46b30-5
0.233
WIL-LEE-1f71e281-1
0.232
MAK-UNK-0955449e-2
0.231
GAB-REV-4a4e2ff3-6
0.231
JOK-SYG-b9f02a42-1
0.229
JOH-MSK-a63bdd1d-6
0.229
NIR-THE-0d6461ce-3
0.229
WAR-XCH-e55cba98-5
0.229
NAU-LAT-81109c57-5
0.229
MAR-TRE-3159af1a-98
0.228
MAK-UNK-ec98eaf6-33
0.227
MAK-UNK-ec98eaf6-8
0.227
DUN-NEW-f8ce3686-21
0.227
NAU-LAT-81109c57-3
0.226
MAK-UNK-be5ffcbc-3
0.226
TAM-UNI-c140e31a-2
0.226
GAB-REV-4a4e2ff3-14
0.225
PAT-UNK-b2d83456-4
0.225
GAB-REV-4a4e2ff3-19
0.225
STU-CHA-bc0a9883-1
0.224
NAU-LAT-f723e322-1
0.224
DAR-DIA-fb20be43-15
0.224
NAU-LAT-81109c57-6
0.224
DAR-DIA-fb20be43-11
0.224
JOK-SYG-302da050-1
0.224
JOH-CHE-3504ac3d-2
0.224
MAR-UCB-195bc32d-20
0.223