Molecular Properties | |
SMILES: | Cc1cccc(CCCN2CCC(O)CC2)c1 |
MW: | 233.355 |
Fraction sp3: | 0.6 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 23.47 |
cLogP: | 2.38432 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine Extended REAL: | s_2230____679016____8367448 |
MAK-UNK-e4a48a85-11
0.437
JOO-PER-74f994a9-1
0.385
MAK-UNK-e4a48a85-6
0.373
MAK-UNK-e4a48a85-4
0.349
MAK-UNK-10dfa458-10
0.338
MAK-UNK-af83ef51-12
0.338
MAK-UNK-e4a48a85-3
0.337
MAK-UNK-af83ef51-6
0.333
AAR-POS-d2a4d1df-24
0.333
MAK-UNK-e4a48a85-10
0.330
MAK-UNK-15efde89-1
0.329
JAG-UCB-ef2c0e8e-8
0.324
MAK-UNK-af83ef51-11
0.324
MAK-UNK-e4a48a85-17
0.323
CAM-STU-3ef21e73-1
0.319
MIH-UNI-e573136b-7
0.316
MAK-UNK-af83ef51-9
0.309
MAK-UNK-10dfa458-12
0.305
MAK-UNK-af83ef51-7
0.305
MAK-UNK-af83ef51-5
0.304
MAK-UNK-3f402c2b-3
0.303
MAK-UNK-af83ef51-8
0.303
MAK-UNK-10dfa458-11
0.299
MAK-UNK-acefcb18-27
0.296
RAF-POL-b61b4b25-9
0.293
AAR-POS-d2a4d1df-7
0.292
MAR-UNI-9d4da90d-5
0.292
MAK-UNK-1cb0e944-9
0.291
MAK-UNK-af83ef51-10
0.287
MAK-UNK-acefcb18-25
0.280
MAK-UNK-e4a48a85-5
0.278
NIR-THE-0d6461ce-1
0.276
MAK-UNK-31051d4e-1
0.276
MAK-UNK-5e88aa6a-12
0.276
RED-RED-10c9212c-24
0.275
PET-SGC-908c18f3-1
0.274
MAK-UNK-31051d4e-2
0.273
JOR-UNI-2fc98d0b-13
0.272
STU-CHA-0be58c98-1
0.271
SAD-SAT-c989feaa-8
0.271
WIL-LEE-23e8b574-7
0.270
WAR-XCH-b6889685-6
0.265
MAK-UNK-e4a48a85-7
0.264
CAS-DEP-167c18e3-3
0.263
MAK-UNK-10799360-3
0.261
JOR-UNI-61e7b1d5-24
0.260
MAK-UNK-31051d4e-3
0.258
MAK-UNK-e4a48a85-18
0.255
MAK-UNK-e4a48a85-16
0.255
NIR-THE-c331be7a-6
0.253
JOH-ILL-da934517-3
0.250
MAK-UNK-acefcb18-24
0.250
SAM-UNK-2684b532-8
0.250
SAD-SAT-29425be4-18
0.250
SAD-SAT-5b1897b2-4
0.250
DUN-NEW-f8ce3686-11
0.247
AAR-RCN-dbf5c5ee-1
0.247
MAK-UNK-acefcb18-28
0.244
SAM-UNK-2684b532-9
0.244
WIL-LEE-23e8b574-3
0.241
AAR-RCN-845f9611-1
0.241
CES-WAB-18e74d70-2
0.241
JAN-GHE-1d98ec1c-2
0.241
JOR-UNI-61e7b1d5-25
0.240
MAK-UNK-e4a48a85-19
0.240
MAK-UNK-acefcb18-19
0.240
MAK-UNK-acefcb18-20
0.239
SAM-UNK-83e03154-1
0.239
MAK-UNK-e4a48a85-26
0.239
TRY-UNI-1fd04853-4
0.238
MAR-TRE-3e4e6814-51
0.238
JAN-UNI-2e92c4b1-3
0.237
PET-SGC-39d74636-2
0.237
WIL-LEE-23e8b574-5
0.237
JOR-UNI-2fc98d0b-3
0.237
MAR-TRE-a3327163-44
0.236
MAK-UNK-acefcb18-22
0.236
PAT-GYR-de8eec61-5
0.236
SAD-SAT-29425be4-20
0.235
GIA-UNK-7337c2f3-8
0.235
PET-SGC-39d74636-1
0.234
MAK-UNK-acefcb18-17
0.234
MAK-UNK-e4a48a85-14
0.233
MED-COV-4280ac29-23
0.232
AGN-NEW-c7b24fe3-3
0.232
AGN-NEW-c7b24fe3-6
0.232
DOU-UNK-b5326f8f-18
0.232
MAR-TRE-3e4e6814-94
0.231
MAR-UNI-9d4da90d-6
0.231
SAM-UNK-2684b532-10
0.231
MAR-TRE-b77b7921-99
0.229
MED-COV-4280ac29-7
0.229
WAR-XCH-b6889685-27
0.229
MAK-UNK-acefcb18-23
0.228
SEL-UNI-cd366922-5
0.228
SAD-SAT-7d5528d9-18
0.227
MAK-UNK-1cb0e944-10
0.227
MAK-UNK-849bee6c-9
0.227
MAK-UNK-10dfa458-7
0.227
JOR-UNI-61e7b1d5-5
0.227