Molecular Properties | |
SMILES: | CC(=O)NCCc1cccc2nccnc12 |
MW: | 215.256 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 54.88 |
cLogP: | 1.3084 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
ROB-UNI-b2e39629-9
0.346
JOH-MSK-ec639444-3
0.343
ROB-UNI-b2e39629-10
0.341
DUN-NEW-f8ce3686-10
0.338
ELE-IMP-dfb36048-2
0.338
CAL-AMP-9edebd8f-1
0.338
ANT-DIA-b7f58f21-4
0.322
MAR-UCB-195bc32d-16
0.319
JOH-MSK-a63bdd1d-4
0.319
SIM-DEM-5935bd74-3
0.316
SAN-PRS-3c4a6997-2
0.314
JIN-POS-6dc588a4-10
0.309
DUN-NEW-f8ce3686-21
0.304
WIL-UNI-2a57d06c-48
0.303
CHA-MCP-85291e1d-7
0.300
CHA-MCP-85291e1d-1
0.300
GAB-REV-4a4e2ff3-21
0.299
AAR-POS-d2a4d1df-2
0.297
SAN-PRS-3c4a6997-1
0.297
TAM-UNI-d1c3dd9f-24
0.293
DUN-NEW-f8ce3686-5
0.292
PET-SGC-708ec5d8-1
0.291
WIL-LEE-23e8b574-3
0.289
MAR-UCB-195bc32d-21
0.289
ALE-ACE-2610ee4d-1
0.289
JOH-MSK-35a8745a-1
0.289
GAB-REV-4a4e2ff3-11
0.289
JOH-MEM-4bb7e4cc-1
0.286
DUN-NEW-f8ce3686-12
0.286
MAT-GIT-deadff56-1
0.286
SID-ELM-2583a2cd-11
0.286
ASH-UNK-40b46b30-7
0.283
PAT-UNK-b2d83456-4
0.282
MAT-GIT-deadff56-2
0.278
GAB-REV-4a4e2ff3-13
0.277
SAN-PRS-3c4a6997-3
0.276
DUN-NEW-f8ce3686-11
0.276
ROB-UNI-b2e39629-5
0.276
ROB-UNI-b2e39629-6
0.275
WIL-UNI-d4749f31-23
0.275
GAB-REV-4a4e2ff3-5
0.274
JOH-MSK-a63bdd1d-5
0.272
GAB-REV-4a4e2ff3-18
0.271
TAM-UNI-d1c3dd9f-23
0.271
GAB-REV-4a4e2ff3-7
0.270
TAM-UNI-c140e31a-22
0.270
TAM-UNI-d1c3dd9f-20
0.270
NAU-LAT-81109c57-5
0.270
HAN-NEW-5f56c3bc-2
0.268
SHR-UNK-cde60afe-1
0.267
TAM-UNI-c140e31a-2
0.267
GAB-REV-4a4e2ff3-3
0.266
JOH-MEM-5e386bbd-8
0.266
DUN-NEW-f8ce3686-6
0.265
BEN-DND-362d364a-8
0.265
SIM-DEM-265738e1-1
0.265
TAM-UNI-c140e31a-15
0.265
SAM-UNK-903735bd-2
0.265
ELE-IMP-dfb36048-1
0.265
PET-SGC-f818f65b-1
0.265
ROB-UNI-b2e39629-4
0.265
ROB-UNI-b2e39629-7
0.265
ROB-UNI-b2e39629-8
0.264
BEN-DND-362d364a-7
0.264
JAN-GHE-6413aaf8-5
0.264
MAT-GIT-deadff56-3
0.264
DUN-NEW-f8ce3686-24
0.264
MAR-TRE-c317dd82-56
0.261
DUN-NEW-f8ce3686-8
0.261
WIL-LEE-23e8b574-2
0.260
GAB-REV-4a4e2ff3-16
0.260
MAD-FNM-828af174-1
0.260
CHA-MCP-85291e1d-3
0.259
PET-SGC-c429dc17-1
0.259
CES-WAB-18e74d70-1
0.259
DUN-NEW-f8ce3686-13
0.258
TAM-UNI-c140e31a-3
0.258
MED-COV-4280ac29-21
0.258
MAK-UNK-be5ffcbc-9
0.256
TAM-UNI-c140e31a-16
0.256
NAU-LAT-81109c57-7
0.255
JOH-MSK-a63bdd1d-1
0.253
GAB-REV-4a4e2ff3-14
0.253
SAM-UNI-7fd13e32-1
0.253
NAU-LAT-81109c57-3
0.253
GAB-REV-4a4e2ff3-1
0.253
GAB-REV-4a4e2ff3-2
0.250
MAK-UNK-d1e89583-8
0.250
GAB-REV-4a4e2ff3-20
0.248
NAU-LAT-30527ac5-6
0.248
WAR-XCH-e55cba98-2
0.248
PET-SGC-1c3a473d-1
0.247
SIM-SYN-a98e6a07-4
0.247
MAK-UNK-ec98eaf6-47
0.247
NAU-LAT-0543f7f2-3
0.247
NAU-LAT-30527ac5-5
0.247
MAR-LAB-ca4662a6-6
0.247
MAK-UNK-129dcd6f-6
0.247
SAN-PRS-3c4a6997-5
0.247
MAK-UNK-27459e11-7
0.246