Molecular Properties | |
SMILES: | O=C(c1cccnc1)N1CCN(Cc2cccc(Cl)c2Cl)CC1 |
MW: | 349.07 |
Fraction sp3: | 0.29 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 36.44 |
cLogP: | 3.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JUL-TUD-06b2044f-126
0.600
JUL-TUD-06b2044f-57
0.549
JUL-TUD-06b2044f-119
0.379
DRR-IMP-38dce17f-4
0.355
JUL-TUD-06b2044f-136
0.345
JUL-TUD-06b2044f-72
0.340
SAD-SAT-b55127ae-4
0.333
JUL-TUD-06b2044f-29
0.333
STE-KUL-2e0d2e88-3
0.329
DRR-IMP-38dce17f-1
0.329
JOO-PER-58e158bd-1
0.326
JUL-TUD-06b2044f-73
0.317
SAD-SAT-bc31ec01-1
0.308
AHN-SAT-de2502ba-15
0.305
MAK-UNK-e4a48a85-26
0.301
MAK-UNK-7c9d1431-20
0.300
JUL-TUD-06b2044f-74
0.298
AAR-POS-d2a4d1df-40
0.294
MED-COV-4280ac29-31
0.294
SAD-SAT-f0a2747f-8
0.294
PEI-IMP-ca0b2813-1
0.293
MAK-UNK-10dfa458-38
0.292
MAK-UNK-10dfa458-7
0.290
BEN-DND-09b88bf4-1
0.290
BEN-DND-6de5dfa0-2
0.290
KIM-UNI-7d12df64-3
0.289
ANU-UNK-2781581f-2
0.287
JUL-TUD-06b2044f-30
0.286
MAK-UNK-009ebe36-8
0.284
STU-CHA-464c0256-1
0.284
JOO-IND-6372a4f3-6
0.284
BEN-VAN-c986b20b-13
0.281
JOO-IND-6372a4f3-5
0.281
MAR-TRE-8a25d817-48
0.280
JOO-IND-6372a4f3-4
0.279
DAR-DIA-fb20be43-8
0.278
JAN-GHE-fd8d85a5-3
0.278
PAU-UNI-19862c28-1
0.278
TAM-UNI-d1c3dd9f-13
0.277
MAK-UNK-6ca90168-15
0.275
STE-UNK-13e151dd-1
0.275
MAT-POS-4e253971-2
0.275
MAT-POS-afd4d4fd-3
0.275
NIM-UNI-310206f0-46
0.275
TAM-UNI-d1c3dd9f-14
0.274
UNK-UNK-2ede4078-39
0.274
MIH-UNI-e573136b-5
0.273
BEN-DND-031a96cc-7
0.273
MIH-UNI-e573136b-2
0.272
TAM-UNI-d1c3dd9f-15
0.271
MAK-UNK-10dfa458-35
0.270
DRR-IMP-38dce17f-6
0.269
PAU-UNI-8cdd41c7-1
0.269
SAN-PRS-52b81272-1
0.268
JON-UIO-066ce08b-9
0.267
KRI-MAR-d2e3ef86-6
0.267
MIH-UNI-e573136b-3
0.267
HYO-UNK-50298ba0-1
0.267
DAR-DIA-fb20be43-2
0.267
KIM-UNI-2ee5d8f9-1
0.266
MAR-TRE-3e4e6814-54
0.265
MAK-UNK-a7b37c5e-1
0.265
BEN-DND-6de5dfa0-19
0.264
KIM-UNI-7d12df64-1
0.264
AAR-POS-d2a4d1df-41
0.264
TAT-ENA-80bfd3e5-20
0.264
BEN-VAN-d8fd1356-24
0.264
KEI-UNI-85a52787-8
0.264
JUL-TUD-06b2044f-53
0.263
NIM-UNI-310206f0-43
0.262
BEN-DND-6de5dfa0-27
0.261
MAK-UNK-af83ef51-1
0.261
SEL-UNI-cd366922-6
0.261
BEN-VAN-d8fd1356-20
0.261
DAR-DIA-fb20be43-9
0.260
MAK-UNK-987948f6-2
0.260
DRR-IMP-38dce17f-5
0.259
MED-COV-4280ac29-14
0.259
KEI-UNI-85a52787-4
0.259
KEI-UNI-85a52787-6
0.259
JAN-GHE-fd8d85a5-1
0.258
DRA-CSI-47e38074-11
0.258
BEN-VAN-c986b20b-10
0.258
MAR-TRE-66ac689e-34
0.258
TAM-UNI-d1c3dd9f-18
0.258
DUN-NEW-f8ce3686-2
0.258
TAM-UNI-d1c3dd9f-9
0.258
JOR-UNI-2fc98d0b-5
0.257
WAR-XCH-bdd24732-26
0.257
KEI-UNI-85a52787-9
0.257
JOH-UNI-0e1753c1-3
0.256
HYO-UNK-49a60884-1
0.256
MED-COV-4280ac29-15
0.256
JOH-UNI-0e1753c1-2
0.256
AAR-POS-d2a4d1df-35
0.256
MAK-UNK-2c1752f0-1
0.256
BEN-DND-61647d40-20
0.256
JOK-SYG-18591e8f-1
0.256
JON-UIO-066ce08b-16
0.256
SEA-TRI-9e600f3c-1
0.255