Molecular Properties | |
SMILES: | Cc1ccc(OCC(=O)N2CCN(c3ccc(CN4CCC(O)CC4)cc3)CC2)cc1 |
MW: | 423.557 |
Fraction sp3: | 0.48 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 56.25 |
cLogP: | 2.67932 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (4)
N,N-Dialkyl aniline derivatives (5)
anil_di_alk_D(198)
AAR-POS-d2a4d1df-7
MAK-UNK-acefcb18-21
0.605
MAK-UNK-acefcb18-27
0.514
AAR-POS-d2a4d1df-6
0.486
MAK-UNK-acefcb18-23
0.430
MAK-UNK-acefcb18-22
0.429
JOH-IMS-cc7b4c67-6
0.409
MAK-UNK-acefcb18-24
0.406
JOH-IMS-cc7b4c67-4
0.396
JOH-IMS-cc7b4c67-2
0.387
MAK-UNK-acefcb18-29
0.375
JOH-IMS-cc7b4c67-8
0.374
JOH-IMS-cc7b4c67-1
0.369
YOI-UNK-090ea88a-1
0.366
AAR-POS-0daf6b7e-18
0.362
WIL-WAB-1289c0dd-1
0.355
PET-SGC-fedd1f79-1
0.349
MAK-UNK-7c9d1431-21
0.337
PET-SGC-ae7b447e-1
0.336
WAR-XCH-b6889685-15
0.333
MAK-UNK-acefcb18-17
0.322
RAF-UNK-9885c2f5-2
0.320
MAK-UNK-acefcb18-16
0.319
MAK-UNK-e4a48a85-18
0.314
MAK-UNK-acefcb18-30
0.313
SAD-SAT-cefd50cc-7
0.311
MAK-UNK-acefcb18-26
0.311
MAT-POS-162a9720-4
0.309
DRA-CSI-0a78d9ba-13
0.308
LAV-MCD-880a620a-1
0.306
MAK-UNK-af83ef51-33
0.305
MAK-UNK-acefcb18-18
0.305
MAK-UNK-acefcb18-25
0.303
AAR-POS-d2a4d1df-7
0.300
MAR-UNI-9d4da90d-5
0.299
MAK-UNK-e4a48a85-3
0.297
MAK-UNK-e4a48a85-19
0.296
MAT-POS-162a9720-5
0.294
DRR-IMP-38dce17f-7
0.294
MAK-UNK-6ca90168-14
0.294
CAM-STU-3ef21e73-1
0.292
MAR-TRE-7f7bb9f0-58
0.288
JIA-UNI-93b03cae-1
0.287
SAD-SAT-f25ee457-4
0.286
GIA-UNK-595fac82-5
0.284
RAF-UNK-9885c2f5-1
0.283
DRA-CSI-0a78d9ba-16
0.282
MAK-UNK-acefcb18-28
0.282
MAT-POS-b5746674-74
0.281
SAD-SAT-5b1897b2-4
0.279
MAK-UNK-e4a48a85-14
0.279
MIH-UNI-e573136b-7
0.278
MAK-UNK-e4a48a85-26
0.277
MAK-UNK-7c9d1431-29
0.277
DRA-CSI-0a78d9ba-6
0.275
DRA-CSI-0a78d9ba-15
0.275
PET-SGC-cb62ec31-1
0.275
SAM-UNK-2684b532-8
0.275
BEN-VAN-c986b20b-18
0.274
MAK-UNK-e4a48a85-7
0.274
SAD-SAT-581007d4-2
0.273
AAR-POS-d2a4d1df-24
0.273
MAT-POS-b5746674-72
0.270
MAK-UNK-acefcb18-19
0.270
MAR-LAB-ff9967db-32
0.269
CES-WAB-18e74d70-2
0.269
MAR-LAB-ff9967db-16
0.267
MAK-UNK-e4a48a85-17
0.267
MAK-UNK-acefcb18-31
0.267
JAN-UNI-2e92c4b1-3
0.266
PET-SGC-39d74636-2
0.266
MAT-POS-162a9720-2
0.264
NIL-NON-a189c016-1
0.264
DUN-NEW-f8ce3686-11
0.260
AAR-POS-d2a4d1df-25
0.259
AHN-SAT-de2502ba-8
0.259
WIL-LEE-23e8b574-2
0.258
WAR-XCH-b6889685-25
0.258
SEL-UNI-cd366922-5
0.258
TRI-UNI-97428359-2
0.257
MAR-TRE-d0525fbf-84
0.257
SAD-SAT-581007d4-4
0.255
MAK-UNK-e4a48a85-6
0.255
SAD-SAT-65574d3f-9
0.253
MAK-UNK-e4a48a85-12
0.253
DRA-CSI-0a78d9ba-2
0.252
MAK-UNK-7c9d1431-24
0.250
SAD-SAT-29425be4-11
0.250
BRU-UNI-248b30bc-10
0.250
MAK-UNK-1cb0e944-12
0.250
DRR-IMP-38dce17f-3
0.250
WAR-XCH-b72a1bbc-43
0.247
MAR-UNI-9d4da90d-6
0.247
AHN-SAT-02ef6d10-2
0.247
MAR-LAB-ca4662a6-2
0.247
GIA-UNK-5ec6c2b8-3
0.247
DRA-CSI-0a78d9ba-3
0.246
DRA-CSI-0a78d9ba-4
0.246
NIM-UNI-310206f0-44
0.245
KRI-MAR-d2e3ef86-13
0.245
MAK-UNK-e4a48a85-4
0.245