Molecular Properties | |
SMILES: | CC(=O)Nc1cncc(N)c1 |
MW: | 151.169 |
Fraction sp3: | 0.14 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 1 |
TPSA: | 68.01 |
cLogP: | 0.6222 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | BBV-55255876 |
Mcule: | MCULE-4938504605 |
MolPort: | MolPort-035-775-552 |
aniline
SID-ELM-2583a2cd-5
0.543
DAR-DIA-23aa0b97-9
0.510
SID-ELM-2583a2cd-16
0.481
DAR-DIA-23aa0b97-13
0.481
DAR-DIA-23aa0b97-8
0.446
FRA-FAC-9ed5a63a-5
0.439
MAK-UNK-7a704a63-6
0.407
MAK-UNK-c8c8f7e2-11
0.407
DAR-DIA-23aa0b97-7
0.367
DAN-PUR-19f24f0c-2
0.360
MAR-TRE-67513f76-6
0.352
SID-ELM-2583a2cd-6
0.309
IAN-BAS-daf5a467-1
0.309
SID-ELM-2583a2cd-7
0.298
SID-ELM-2583a2cd-19
0.295
BEN-DND-6de5dfa0-18
0.290
DAR-DIA-23aa0b97-3
0.288
SID-ELM-2583a2cd-15
0.286
MAK-UNK-ca11b4f7-3
0.286
SAD-SAT-689b7d5a-3
0.286
DAR-DIA-23aa0b97-15
0.281
JON-UIO-56032f80-1
0.271
AAR-POS-d2a4d1df-3
0.271
MAK-UNK-6435e6c2-8
0.271
EDG-MED-0da5ad92-12
0.270
MAK-UNK-129dcd6f-7
0.268
MAR-TRE-85681e92-93
0.265
MAK-UNK-c8c8f7e2-42
0.262
CHR-SOS-363cfb78-1
0.262
CHR-SOS-363cfb78-2
0.258
JOH-IMS-62aeb97d-5
0.255
NAU-LAT-356bd3c2-2
0.254
FRA-FAC-9ed5a63a-6
0.250
IAN-BAS-0bc4bd27-1
0.250
MAR-TRE-9c797165-56
0.250
AAR-POS-d2a4d1df-18
0.250
MAK-UNK-7a704a63-5
0.250
MAK-UNK-c8c8f7e2-10
0.250
MAK-UNK-c8c8f7e2-29
0.250
JAN-LUN-3e0f9c09-3
0.250
BEN-BAS-2a7c309d-1
0.247
MAK-UNK-129dcd6f-16
0.247
BEN-DND-61647d40-21
0.246
DAR-DIA-23aa0b97-6
0.246
TRY-UNI-714a760b-13
0.246
ALE-HEI-f28a35b5-4
0.246
MAR-TRE-2fd8122f-67
0.246
TRY-UNI-714a760b-8
0.246
MAR-TRE-85681e92-71
0.246
AAR-POS-0daf6b7e-33
0.245
FAW-UNI-22767737-7
0.244
BEN-BAS-26f6b627-1
0.243
CHA-MCP-85291e1d-1
0.243
BEN-DND-61647d40-9
0.243
MAR-TRE-67513f76-74
0.242
SID-ELM-8b394441-5
0.242
MAK-UNK-c8c8f7e2-44
0.242
MAK-UNK-c8c8f7e2-21
0.242
MED-UNK-e6e8ef8a-1
0.242
MAR-TRE-67513f76-81
0.240
MAR-TRE-67513f76-61
0.239
JAN-LUN-3e0f9c09-2
0.239
JAN-LUN-8953ce76-4
0.239
MAR-TRE-66ac689e-72
0.239
BEN-DND-61647d40-10
0.239
RAL-MED-2de63afb-12
0.239
TRY-UNI-714a760b-9
0.239
SID-ELM-b654bfa2-1
0.238
GAB-REV-70cc3ca5-21
0.238
KIM-UNI-60f168f5-1
0.237
SAD-SAT-135344c3-5
0.237
MAR-TRE-a9136c7b-64
0.236
SEL-UNI-49ab05bd-1
0.236
MAR-TRE-85681e92-92
0.235
MAR-TRE-fffca54f-98
0.235
MAK-UNK-ca11b4f7-2
0.235
NAU-LAT-ec9c7557-1
0.235
MAR-TRE-67513f76-98
0.234
TRY-UNI-714a760b-7
0.234
EDJ-MED-39aed21e-1
0.233
MAK-UNK-6435e6c2-4
0.233
JAG-UCB-a3ef7265-12
0.233
MAK-UNK-c8c8f7e2-19
0.233
WAR-XCH-eb7b662f-6
0.233
MAR-TRE-7f7bb9f0-18
0.233
KEI-TRE-d5e2018a-15
0.233
MAR-TRE-2fd8122f-45
0.233
ALF-EVA-b701bd13-1
0.233
ALF-EVA-b701bd13-2
0.233
MAR-TRE-e82e6c98-58
0.232
IAN-BAS-0ac8c25d-1
0.232
MAR-TRE-2fd8122f-79
0.231
SID-ELM-b654bfa2-21
0.231
MAK-UNK-7a704a63-14
0.231
MAK-UNK-c8c8f7e2-28
0.231
MAK-UNK-ca11b4f7-1
0.231
TRY-UNI-714a760b-1
0.231
MAK-UNK-30aad1f1-3
0.230
MAK-UNK-c8c8f7e2-40
0.230
MAR-TRE-85681e92-74
0.230