Molecular Properties | |
SMILES: | CC(=O)Nc1cc(C#N)ccc1C |
MW: | 174.203 |
Fraction sp3: | 0.2 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 52.89 |
cLogP: | 1.8251 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine Extended REAL: | s_22____6444730____58844 |
MAK-UNK-6435e6c2-8
IND-SYN-2c708b29-5
0.522
IND-SYN-aa221fbf-1
0.522
PET-SGC-0f1d26ed-2
0.359
MAK-UNK-c8c8f7e2-41
0.350
MAK-UNK-7a704a63-18
0.350
MAR-TRE-14ce9fd6-51
0.333
TAM-UNI-d1c3dd9f-18
0.329
MAK-UNK-6435e6c2-8
0.320
AAR-POS-d2a4d1df-3
0.320
MAR-TRE-92684b97-69
0.313
TRY-UNI-714a760b-24
0.309
BEN-DND-61647d40-8
0.303
SAD-SAT-cefd50cc-10
0.301
TRY-UNI-714a760b-20
0.300
JAN-GHE-fd8d85a5-7
0.299
DUN-NEW-f8ce3686-12
0.299
MAT-GIT-deadff56-1
0.299
JOH-MEM-4bb7e4cc-1
0.299
CHR-SOS-363cfb78-2
0.294
SCO-VAN-260d9628-5
0.292
TRY-UNI-714a760b-22
0.292
KIM-UNI-7d12df64-2
0.290
TRY-UNI-1fd04853-2
0.288
PET-SGC-708ec5d8-1
0.286
TRY-UNI-2eddb1ff-1
0.286
MAR-TRE-a3327163-37
0.281
GAB-REV-70cc3ca5-19
0.280
WAR-XCH-6eb0722e-1
0.278
MAR-TRE-6c5ef77a-62
0.273
TRY-UNI-1fd04853-3
0.272
ASH-SAT-43770c7d-9
0.271
TRY-UNI-9f475305-1
0.271
AAR-UNI-c25c2f1e-56
0.270
DAR-DIA-fb20be43-3
0.270
JAG-UCB-ef2c0e8e-9
0.270
THO-SYG-cc9e9a11-4
0.268
MAK-UNK-f983951f-23
0.268
PET-SGC-0f1d26ed-1
0.268
ANT-DIA-b7f58f21-8
0.266
ROB-UNI-b2e39629-1
0.266
MAR-TRE-6c5ef77a-31
0.266
WAR-XCH-6eb0722e-3
0.265
THO-SYG-cc9e9a11-3
0.265
MAR-TRE-0fda4e82-81
0.265
GAB-FAC-0d239413-1
0.264
JAN-GHE-fd8d85a5-8
0.264
TRY-UNI-1fd04853-1
0.263
PET-SGC-175e168c-1
0.263
MAK-UNK-ec98eaf6-21
0.263
MAR-TRE-0fda4e82-30
0.262
MAR-TRE-1c920f6f-91
0.261
TRY-UNI-714a760b-23
0.260
MAR-TRE-a3327163-60
0.258
MAT-POS-590ac91e-13
0.258
ANN-UNI-26382800-6
0.258
TRY-UNI-714a760b-19
0.257
ANT-DIA-b7f58f21-9
0.256
PET-SGC-cb62ec31-1
0.254
CLI-TLC-bf000c24-1
0.254
TRY-UNI-9f475305-10
0.253
WIL-LEE-1f71e281-1
0.253
MAT-POS-c20a539d-5
0.253
PET-UNK-6314f867-2
0.253
TRY-UNI-714a760b-21
0.250
PET-SGC-276eba5a-1
0.250
MAR-TRE-0fda4e82-73
0.250
JOH-SUS-bab12148-1
0.250
MAR-TRE-a3327163-43
0.250
MAR-TRE-14ce9fd6-62
0.250
MAR-TRE-f5c2d31c-75
0.247
TAM-UNI-d1c3dd9f-16
0.247
JAN-GHE-fd8d85a5-11
0.247
BAR-COM-0f94fc3d-13
0.246
MAK-UNK-7a704a63-16
0.246
PAT-UNK-b2d83456-1
0.246
MAK-UNK-c8c8f7e2-39
0.246
TRY-UNI-2eddb1ff-6
0.244
RAL-THA-901e9a10-3
0.244
MIC-UNK-2744a8e2-4
0.244
MAR-TRE-a3327163-53
0.243
AHN-SAT-de2502ba-10
0.243
NEL-UNI-1464a899-8
0.242
ERI-UCB-5b47150d-4
0.242
MAR-TRE-f5c2d31c-98
0.242
MIC-UNK-2744a8e2-8
0.241
MAK-UNK-6ca90168-26
0.241
TAM-UNI-d1c3dd9f-17
0.240
AHN-SAT-de2502ba-9
0.239
DAR-DIA-23aa0b97-5
0.239
ANN-UNI-26382800-4
0.239
WAR-XCH-eb7b662f-1
0.239
JOR-UNI-61e7b1d5-2
0.239
PET-SGC-0ecb2cfe-1
0.237
MAR-TRE-3724962b-26
0.237
JOR-UNI-61e7b1d5-1
0.237
MAR-TRE-0fda4e82-84
0.237
MAR-TRE-1c920f6f-100
0.237
NIC-BIO-a68395b7-2
0.236
BEN-DND-61647d40-7
0.236
MAT-POS-590ac91e-26
0.235