Molecular Properties | |
SMILES: | CCn1cc(CCNC(C)=O)c2cc(C#N)ccc21 |
MW: | 255.321 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 57.82 |
cLogP: | 2.21148 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
ROB-UNI-b2e39629-12
0.608
ROB-UNI-b2e39629-8
0.494
ROB-UNI-b2e39629-5
0.487
MAT-GIT-deadff56-1
0.446
JOH-MEM-4bb7e4cc-1
0.446
DUN-NEW-f8ce3686-12
0.446
SAN-PRS-3c4a6997-3
0.419
ROB-UNI-b2e39629-11
0.378
ROB-UNI-b2e39629-10
0.372
DUN-NEW-f8ce3686-8
0.363
SCO-VAN-260d9628-5
0.351
DUN-NEW-f8ce3686-6
0.347
ROB-UNI-b2e39629-3
0.346
ROB-UNI-b2e39629-7
0.345
SIM-DEM-5935bd74-3
0.333
TAM-UNI-d1c3dd9f-23
0.333
DUN-NEW-f8ce3686-13
0.333
PAT-UNK-b2d83456-5
0.330
JOH-MSK-d60b0211-1
0.330
MAT-GIT-deadff56-2
0.329
JOH-MSK-ec639444-3
0.325
DUN-NEW-f8ce3686-5
0.320
TAM-UNI-d1c3dd9f-24
0.310
JOH-MEM-5e386bbd-3
0.309
AAR-POS-d2a4d1df-2
0.300
JOH-MSK-2d8052dc-1
0.298
TAM-UNI-d1c3dd9f-19
0.295
ANT-OPE-81f9835f-1
0.291
JAN-GHE-fd8d85a5-11
0.291
JOH-MSK-a63bdd1d-4
0.287
MAR-UCB-195bc32d-16
0.287
JUL-TUD-06b2044f-129
0.287
IND-SYN-2c708b29-4
0.286
BAR-COM-0f94fc3d-57
0.286
ROB-UNI-b2e39629-9
0.286
JUL-TUD-06b2044f-115
0.284
SAN-PRS-3c4a6997-1
0.284
NEL-UNI-1464a899-3
0.282
SAN-PRS-3c4a6997-2
0.282
MAK-UNK-f983951f-23
0.282
GAB-REV-4a4e2ff3-13
0.280
MAR-TRE-3159af1a-94
0.278
ALE-ACE-2610ee4d-1
0.277
JOH-MSK-35a8745a-1
0.277
MAR-UCB-195bc32d-21
0.277
NEL-UNI-1464a899-8
0.275
MAR-TRE-3159af1a-98
0.275
MAK-UNK-be5ffcbc-6
0.275
JOH-MSK-a63bdd1d-1
0.274
TAM-UNI-d1c3dd9f-20
0.274
CHA-MCP-85291e1d-7
0.273
TRY-UNI-1fd04853-8
0.270
DUN-NEW-f8ce3686-7
0.269
DUN-NEW-f8ce3686-9
0.268
MAT-GIT-deadff56-3
0.268
WIL-LEE-1f71e281-1
0.267
PET-SGC-0ecb2cfe-1
0.266
NAU-LAT-f723e322-2
0.265
ANT-DIA-b7f58f21-4
0.265
ANT-DIA-b7f58f21-8
0.263
ROB-UNI-b2e39629-1
0.263
MAK-UNK-be5ffcbc-9
0.262
DUN-NEW-f8ce3686-21
0.261
CAL-AMP-9edebd8f-1
0.261
ELE-IMP-dfb36048-2
0.261
DUN-NEW-f8ce3686-10
0.261
JOH-MSK-a63bdd1d-5
0.261
WAR-XCH-6eb0722e-1
0.260
NAU-LAT-81109c57-7
0.260
MAR-TRE-0fda4e82-56
0.259
MAR-TRE-a3327163-53
0.259
CHA-MCP-85291e1d-1
0.258
HAN-NEW-5f56c3bc-2
0.258
TRY-UNI-1fd04853-6
0.258
MAK-UNK-be5ffcbc-2
0.258
TAM-UNI-c140e31a-2
0.258
ALP-POS-02c6a514-39
0.257
ALP-POS-b0bc6a46-24
0.257
WAR-XCH-e55cba98-5
0.257
ALP-UNI-fe744232-3
0.257
JOH-MEM-5e386bbd-8
0.256
ELE-IMP-dfb36048-1
0.256
SIM-DEM-265738e1-1
0.256
JOH-MSK-a63bdd1d-2
0.256
TAM-UNI-d1c3dd9f-18
0.256
PET-SGC-f818f65b-1
0.256
ROB-UNI-b2e39629-4
0.256
SAM-UNK-903735bd-2
0.256
TAM-UNI-c140e31a-15
0.256
WIL-LEE-364b6ea8-13
0.256
BEN-DND-362d364a-8
0.256
BEN-DND-362d364a-7
0.255
MAR-TRE-3159af1a-53
0.255
MAK-UNK-be5ffcbc-4
0.255
GAB-REV-4a4e2ff3-9
0.255
SAN-PRS-3c4a6997-5
0.253
KIM-UNI-7d12df64-2
0.253
AAR-UNI-c25c2f1e-99
0.253
AAR-UNI-c25c2f1e-56
0.253
TRY-UNI-1fd04853-10
0.253