Molecular Properties | |
SMILES: | O=C(c1ccccc1)N1CCC(Nc2ccccc2)C1 |
MW: | 266.344 |
Fraction sp3: | 0.24 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 32.34 |
cLogP: | 3.0132 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
GIA-UNK-5ec6c2b8-1
0.417
GIA-UNK-595fac82-2
0.388
GIA-UNK-995df016-10
0.388
MAK-UNK-987948f6-2
0.371
GIA-UNK-eaadd1d4-1
0.362
WAR-XCH-b6889685-29
0.338
BRU-UNI-418e22dc-6
0.337
TAT-ENA-80bfd3e5-10
0.333
AAR-POS-0daf6b7e-5
0.333
JAG-SYN-9c2cd0bd-3
0.329
JAG-SYN-9c2cd0bd-4
0.314
DRA-CSI-13f611db-1
0.314
DRA-CSI-3ab97369-13
0.314
GIA-UNK-d2defdc3-6
0.311
MAR-TRE-6a44bbf2-86
0.310
LON-WEI-120e5cf5-15
0.310
AAR-POS-0daf6b7e-32
0.309
BEN-DND-7e92b6ca-6
0.308
JAG-SYN-9c2cd0bd-8
0.301
JAG-SYN-9c2cd0bd-7
0.301
BEN-DND-6de5dfa0-2
0.301
BEN-DND-09b88bf4-1
0.301
ERI-UCB-a0b0dbcb-5
0.298
MAK-UNK-942dcb71-16
0.297
GIA-UNK-d2defdc3-7
0.295
DRA-CSI-7ec17797-3
0.293
NIR-THE-0d6461ce-1
0.293
CHR-SOS-7098f804-9
0.288
AAR-POS-0daf6b7e-44
0.288
WIL-UNI-1faa9b10-39
0.287
TAT-ENA-80bfd3e5-11
0.286
DRA-CSI-7ec17797-1
0.283
MAK-UNK-752736de-10
0.281
STE-KUL-2e0d2e88-1
0.280
MAK-UNK-212f693e-14
0.279
AAR-UNI-c25c2f1e-45
0.278
CAS-DEP-167c18e3-2
0.278
JAG-SYN-9c2cd0bd-14
0.278
JAG-SYN-9c2cd0bd-9
0.278
DRA-CSI-47e38074-10
0.276
SAD-SAT-2fd372d1-8
0.275
JOH-IMS-62aeb97d-3
0.274
DAR-DIA-eace69ff-6
0.274
SIM-SYN-7db9eb24-2
0.273
DRA-CSI-47e38074-14
0.273
NAU-LAT-56d5284e-3
0.272
MED-COV-dea4df70-1
0.272
AHN-SAT-de2502ba-7
0.271
MAK-UNK-212f693e-20
0.271
ZAC-WAB-b0242612-1
0.271
BEN-DND-031a96cc-4
0.269
DRA-CSI-47e38074-13
0.269
BEN-DND-031a96cc-5
0.269
BEN-DND-031a96cc-2
0.267
SIM-SYN-7db9eb24-1
0.267
LON-WEI-ff7b210a-9
0.264
GIA-UNK-d2defdc3-4
0.263
CAR-INS-33b3c115-3
0.261
MAK-UNK-212f693e-33
0.260
MAK-UNK-212f693e-19
0.260
MIC-SGC-657978c3-8
0.260
GIA-UNK-d2defdc3-9
0.259
DAR-DIA-eace69ff-10
0.258
MAK-UNK-942dcb71-15
0.258
DRA-CSI-47e38074-2
0.258
MAK-UNK-212f693e-13
0.257
MAR-TRE-6a44bbf2-9
0.256
DAR-DIA-eace69ff-20
0.256
MAR-TRE-04c86cea-46
0.256
BEN-DND-031a96cc-3
0.256
GIA-UNK-5ec6c2b8-5
0.254
MAK-UNK-5d2caa6f-20
0.253
GIA-UNK-d2defdc3-5
0.253
JAR-IMP-ed466bb3-9
0.253
MAK-UNK-009ebe36-8
0.250
DRA-CSI-47e38074-3
0.250
FRA-BIO-8bf1eac9-13
0.250
NAU-LAT-56d5284e-8
0.250
DAR-DIA-eace69ff-11
0.247
CAR-INS-33b3c115-4
0.247
GIA-UNK-d2defdc3-2
0.247
GIA-UNK-3f36037a-2
0.247
MIC-SGC-657978c3-2
0.244
LON-WEI-120e5cf5-19
0.244
JOO-IND-6372a4f3-3
0.244
GIA-UNK-20b63697-8
0.244
DAR-DIA-eace69ff-2
0.242
SAD-SAT-29425be4-29
0.242
BEN-DND-031a96cc-1
0.242
DAN-MCD-68a9aade-1
0.242
DAN-MCD-e5161b06-1
0.242
DAN-MCD-a37c31cb-1
0.242
JOH-UNI-522b0723-9
0.242
SEL-UNI-cd366922-1
0.241
JAN-GHE-fd8d85a5-8
0.241
MAK-UNK-3f402c2b-18
0.241
JAG-SYN-9c2cd0bd-5
0.241
GIA-UNK-995df016-15
0.241
JOO-IND-6372a4f3-1
0.241
AAR-UNI-c25c2f1e-30
0.241