Molecular Properties | |
SMILES: | Cc1cccc(CNC(CO)CN2CCC(O)CC2)c1 |
MW: | 278.396 |
Fraction sp3: | 0.62 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 55.73 |
cLogP: | 0.90222 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
MAK-UNK-e4a48a85-9
0.437
JOO-PER-74f994a9-1
0.342
MAK-UNK-e4a48a85-6
0.337
MIH-UNI-e573136b-7
0.333
MAK-UNK-e4a48a85-4
0.333
MAK-UNK-af83ef51-6
0.316
MAK-UNK-e4a48a85-10
0.316
AAR-POS-d2a4d1df-24
0.316
MAK-UNK-e4a48a85-17
0.311
MAK-UNK-af83ef51-11
0.308
MAK-UNK-3f402c2b-3
0.305
CAM-STU-3ef21e73-1
0.304
MAK-UNK-10dfa458-10
0.304
MAK-UNK-e4a48a85-3
0.293
MAK-UNK-af83ef51-10
0.291
MAK-UNK-af83ef51-8
0.289
MAK-UNK-10dfa458-11
0.286
MAR-UNI-9d4da90d-5
0.278
JAG-UCB-ef2c0e8e-8
0.277
SAM-UNK-2684b532-9
0.277
SAM-UNK-2684b532-10
0.277
MAK-UNK-e4a48a85-12
0.275
MAR-TRE-b77b7921-99
0.273
MAK-UNK-e4a48a85-5
0.269
MAK-UNK-e4a48a85-7
0.268
MAK-UNK-af83ef51-9
0.267
MAK-UNK-acefcb18-27
0.266
RAF-POL-b61b4b25-9
0.265
NIR-THE-0d6461ce-1
0.265
RED-RED-10c9212c-24
0.264
MED-COV-4280ac29-7
0.264
MAK-UNK-10dfa458-12
0.264
MAK-UNK-5e88aa6a-12
0.262
MAK-UNK-af83ef51-5
0.261
STU-CHA-0be58c98-1
0.261
SAD-SAT-c989feaa-8
0.261
AAR-POS-d2a4d1df-7
0.260
MAK-UNK-e4a48a85-18
0.260
MAK-UNK-acefcb18-16
0.258
MAR-TRE-f6f5f473-72
0.257
MAK-UNK-e4a48a85-19
0.257
SAD-SAT-5b1897b2-4
0.256
MAK-UNK-e4a48a85-14
0.256
SAM-UNK-2684b532-8
0.255
MAK-UNK-acefcb18-25
0.253
MAK-UNK-af83ef51-7
0.250
MAR-TRE-74c6519b-70
0.248
SAD-SAT-135344c3-9
0.247
MAR-TRE-b77b7921-11
0.247
CES-WAB-18e74d70-2
0.247
MAK-UNK-acefcb18-20
0.245
MAR-TRE-74c6519b-25
0.245
JAN-UNI-2e92c4b1-3
0.244
PET-SGC-39d74636-2
0.244
MAR-TRE-3e4e6814-2
0.243
SAD-SAT-29425be4-18
0.243
TRY-UNI-9f475305-1
0.243
MAK-UNK-acefcb18-22
0.242
WAR-XCH-b6889685-6
0.242
GIA-UNK-7337c2f3-8
0.241
MAR-TRE-74c6519b-8
0.240
MAR-TRE-3159af1a-4
0.240
SEB-EST-28768d06-1
0.240
MAK-UNK-31051d4e-1
0.240
MAK-UNK-1cb0e944-9
0.240
DUN-NEW-f8ce3686-11
0.240
MAK-UNK-10799360-3
0.240
MAK-UNK-1cb0e944-13
0.239
MED-COV-4280ac29-23
0.239
DAV-SYG-f22c749d-9
0.238
DOU-UNK-b5326f8f-18
0.238
MAK-UNK-31051d4e-2
0.237
WAR-XCH-b6889685-49
0.237
SIM-SYN-f15aaa3a-2
0.237
ALP-POS-95b75b4d-9
0.236
SEL-UNI-cd366922-5
0.235
MAR-TRE-f6f5f473-49
0.235
ASH-UNK-40b46b30-8
0.232
MAK-UNK-e4a48a85-26
0.232
NIR-THE-0d6461ce-12
0.232
MAR-TRE-3e4e6814-51
0.231
MAR-TRE-74c6519b-7
0.231
MAK-UNK-acefcb18-24
0.230
MAK-UNK-af83ef51-12
0.230
MAK-UNK-31051d4e-4
0.229
WIL-LEE-23e8b574-5
0.229
RED-RED-10c9212c-52
0.229
SEL-UNI-cd366922-9
0.228
SAD-SAT-29425be4-20
0.228
NIY-UNK-62612a68-6
0.228
MAK-UNK-e4a48a85-16
0.227
MAK-UNK-ec98eaf6-1
0.227
PET-SGC-39d74636-1
0.226
MAK-UNK-acefcb18-17
0.226
JOH-UNI-c7afdb96-8
0.226
WAR-XCH-b72a1bbc-45
0.226
WAL-WAB-df110a02-2
0.226
NIR-THE-0d6461ce-11
0.226
MAR-TRE-3e4e6814-94
0.225
WAR-XCH-b6889685-58
0.225