Molecular Properties | |
SMILES: | Cc1ccc(OCC(=O)N2CCN(C)CC2)cc1 |
MW: | 248.326 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 32.78 |
cLogP: | 1.14782 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-6718559 |
Enamine SCR: | Z2856434836 |
Enamine REAL: | Z31432917 |
Enamine Extended REAL: | s_22____57674____60027 |
Mcule: | MCULE-5481586257 |
Mcule Ultimate: | GIIIJZOPGUFGBF-UHFFFAOYSA-N |
MolPort: | MolPort-001-986-410 |
Order Status | |
Shipped: | 2021-04-16 |
AAR-POS-d2a4d1df-1
JOH-IMS-cc7b4c67-1
0.655
JOH-IMS-cc7b4c67-2
0.522
JOH-IMS-cc7b4c67-6
0.507
RAF-UNK-9885c2f5-2
0.493
JOH-IMS-cc7b4c67-8
0.493
JOH-IMS-cc7b4c67-4
0.486
MAK-UNK-acefcb18-20
0.486
PET-SGC-fedd1f79-1
0.469
MAK-UNK-acefcb18-21
0.462
WIL-WAB-1289c0dd-1
0.440
RAF-UNK-9885c2f5-1
0.424
SAD-SAT-cefd50cc-7
0.402
PET-SGC-ae7b447e-1
0.400
NAU-LAT-ec9c7557-3
0.375
MAK-UNK-acefcb18-29
0.356
PET-SGC-cb62ec31-1
0.353
MAR-TRE-3e4e6814-10
0.350
MAK-UNK-5e88aa6a-1
0.349
MAK-UNK-acefcb18-30
0.345
IND-SYN-6c8299e8-4
0.342
MAK-UNK-acefcb18-22
0.342
NAU-LAT-42d4957e-2
0.341
MIC-UNK-a28eba03-2
0.338
AAR-POS-d2a4d1df-20
0.324
JAR-KUA-672ec752-3
0.321
MAT-POS-b5746674-74
0.320
AHN-SAT-de2502ba-8
0.317
AAR-POS-d2a4d1df-25
0.317
JAR-KUA-672ec752-11
0.316
SID-ELM-1f105489-3
0.316
MAK-UNK-acefcb18-23
0.313
SID-ELM-1f105489-6
0.312
MAK-UNK-b1917cc8-3
0.311
MAK-UNK-b1917cc8-1
0.309
SID-ELM-1f105489-1
0.307
SID-ELM-1f105489-8
0.307
MAK-UNK-b1917cc8-2
0.306
MAK-UNK-acefcb18-24
0.306
MAK-UNK-acefcb18-1
0.304
MAT-POS-b5746674-72
0.304
MAK-UNK-acefcb18-14
0.302
SID-ELM-1f105489-2
0.301
SID-ELM-1f105489-11
0.301
MAK-UNK-acefcb18-17
0.300
MAK-UNK-acefcb18-18
0.299
SID-ELM-1f105489-4
0.299
MAK-UNK-acefcb18-16
0.299
MAR-LAB-efb042c5-5
0.299
MAR-TRE-6a44bbf2-68
0.299
AAR-POS-d2a4d1df-27
0.299
SID-ELM-1f105489-5
0.297
SID-ELM-1f105489-7
0.295
NAU-LAT-42d4957e-1
0.292
AAR-POS-0daf6b7e-44
0.286
SAD-SAT-135344c3-7
0.286
MAR-TRE-6a44bbf2-12
0.286
JAR-KUA-672ec752-14
0.284
MAK-UNK-acefcb18-3
0.284
MAK-UNK-7c9d1431-21
0.282
MAR-TRE-67513f76-5
0.280
WAR-XCH-b6889685-15
0.280
JOH-IMS-cc7b4c67-3
0.278
MAR-TRE-4b834d9a-32
0.277
MED-COV-4280ac29-23
0.276
SCO-VAN-260d9628-1
0.275
MAK-UNK-acefcb18-2
0.275
ALE-HEI-f28a35b5-17
0.275
NIC-BIO-5044b423-1
0.275
MAK-UNK-af83ef51-33
0.275
GIA-UNK-7337c2f3-7
0.274
MAK-UNK-7c9d1431-22
0.274
ALE-SYG-bac15da4-2
0.273
SID-ELM-1f105489-9
0.273
AAR-POS-0daf6b7e-18
0.269
PEI-IMP-668afc53-2
0.265
PAU-WEI-b9b69149-3
0.262
MAK-UNK-212f693e-1
0.262
MAR-LAB-ca4662a6-2
0.261
ALE-HEI-f28a35b5-16
0.261
MAK-UNK-212f693e-9
0.261
WAR-XCH-79d12f6e-4
0.260
NIM-UNI-05f93fcc-11
0.260
TAT-ENA-80bfd3e5-30
0.257
NIC-BIO-2722da07-1
0.256
NIC-UNI-f08e2453-1
0.255
NIC-BIO-174c9b04-2
0.253
LOR-NOR-30067bb9-5
0.253
SID-ELM-1f105489-17
0.250
MAR-TRE-6a44bbf2-77
0.250
MAK-UNK-7c9d1431-17
0.250
NIC-BIO-174c9b04-1
0.250
MAR-TRE-4b834d9a-30
0.250
SID-ELM-1f105489-12
0.250
BEN-DND-93268d01-9
0.247
BEN-DND-09b88bf4-5
0.247
MAR-TRE-1c920f6f-78
0.247
SAD-SAT-5b1897b2-4
0.246
MAK-UNK-5e88aa6a-2
0.246
DAR-DIA-03336633-12
0.245
PAU-WEI-b9b69149-6
0.244