Molecular Properties | |
SMILES: | NCC(CC(=O)O)c1ccccc1 |
MW: | 179.09 |
Fraction sp3: | 0.3 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 63.32 |
cLogP: | 1.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-27459e11-6
0.373
CHA-KIN-6a7389f6-1
0.351
LON-WEI-1908424e-16
0.340
MAR-TRE-aca67d11-30
0.317
MAR-TRE-423310b6-62
0.295
MAR-TRE-8190bb11-11
0.295
MAK-UNK-27459e11-13
0.288
MAK-UNK-df1a028e-9
0.283
AUS-ARG-7cfdce8f-11
0.281
TAM-UNI-c140e31a-10
0.279
MAR-TRE-8190bb11-48
0.279
SIM-SYN-f15aaa3a-1
0.278
MAR-TRE-36bf7dba-30
0.274
BEN-DND-93268d01-1
0.268
BEN-DND-03406596-4
0.268
BEN-DND-03406596-12
0.268
BEN-DND-03406596-11
0.268
PET-SGC-d5b502b1-1
0.268
WIL-WAB-6ef46ddb-1
0.268
SAD-SAT-d8079f6f-10
0.265
MAK-UNK-6ca90168-11
0.263
AAR-UNI-c25c2f1e-75
0.261
MAR-TRE-f5c2d31c-84
0.258
HUN-WAB-acb6a578-1
0.257
SAD-SAT-d8079f6f-8
0.255
MAK-UNK-6ca90168-12
0.255
MAR-TRE-e86a56b5-69
0.254
MAR-TRE-87acfbcc-50
0.254
GIA-UNK-c4371e97-2
0.254
MAR-TRE-6a44bbf2-92
0.254
MAR-TRE-87acfbcc-95
0.254
GIA-UNK-7337c2f3-7
0.254
MAR-TRE-fffca54f-75
0.254
MAK-UNK-194150d3-7
0.254
MAR-TRE-d3c2bf0e-39
0.250
DAR-DIA-3e9bbd81-3
0.250
GIA-UNK-7337c2f3-6
0.250
GIA-UNK-4de5abb1-1
0.250
GIA-UNK-20b63697-7
0.250
MAR-TRE-0fda4e82-25
0.250
MAR-TRE-6a44bbf2-57
0.250
BAR-COM-655b106d-5
0.247
MAR-TRE-04c86cea-19
0.246
MAR-TRE-4f781e27-4
0.246
MAK-UNK-f481d203-4
0.246
MAR-TRE-9d18ae8c-67
0.246
DAR-DIA-3e9bbd81-12
0.246
MAK-UNK-919546f0-2
0.246
MAK-UNK-f481d203-3
0.246
GIA-UNK-7337c2f3-2
0.246
MAR-TRE-0fda4e82-37
0.246
TRY-UNI-714a760b-17
0.246
AHN-SAT-202241f6-1
0.246
MAR-TRE-0fda4e82-27
0.246
WIL-LEE-23e8b574-5
0.246
MAR-TRE-aca67d11-10
0.246
MAR-TRE-85681e92-49
0.246
WAR-XCH-bdd24732-1
0.246
MAR-TRE-d3c2bf0e-33
0.245
MAX-MCD-16e3709a-1
0.245
GIA-UNK-7337c2f3-9
0.242
MAK-UNK-f983951f-5
0.241
BAR-COM-4e090d3a-28
0.240
SAD-SAT-6b5a89f0-8
0.239
MAK-UNK-5d2caa6f-3
0.239
WIL-UNI-1faa9b10-4
0.239
AUS-ARG-7cfdce8f-13
0.238
MAR-TRE-87acfbcc-35
0.238
GIA-UNK-20b63697-1
0.238
BEN-DND-93268d01-3
0.238
GIA-UNK-7337c2f3-1
0.238
TRY-UNI-714a760b-14
0.238
LON-WEI-5e7d1b3e-19
0.237
LON-WEI-4d77710c-19
0.237
MAR-TRE-14ce9fd6-17
0.236
MAK-UNK-f983951f-22
0.236
MAR-TRE-85681e92-75
0.236
MAR-TRE-8190bb11-90
0.236
RAM-UNK-6a5d9687-1
0.235
MAR-TRE-fffca54f-90
0.235
GIA-UNK-c4371e97-1
0.235
FAR-UNI-a04c1544-1
0.235
MAR-TRE-0fda4e82-57
0.234
AMI-SHA-46bf737e-1
0.234
GIA-UNK-7337c2f3-4
0.234
SEL-UNI-cd366922-5
0.234
CHR-SOS-7098f804-9
0.234
AAR-POS-0daf6b7e-10
0.232
NEL-UNI-1464a899-4
0.232
DAV-CRI-3edb475e-4
0.232
SRE-UNK-d6ec0668-1
0.232
SRE-UNK-f31cebfc-1
0.232
ALE-UNK-fca05062-6
0.232
MAR-TRE-e86a56b5-94
0.231
GIA-UNK-7337c2f3-10
0.231
MAR-TRE-66ac689e-41
0.231
HUN-WAB-7263dfed-1
0.231
GIA-UNK-20b63697-6
0.231
GIA-UNK-7337c2f3-3
0.231
MAK-UNK-f983951f-13
0.231