Molecular Properties | |
SMILES: | Cc1cc(CN(CC2C(O)CCCN2Cc2ccccc2)C(=O)CCl)no1 |
MW: | 391.17 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 69.81 |
cLogP: | 2.58 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
IFT-SAT-023cfffe-2
0.733
IFT-SAT-023cfffe-1
0.466
IFT-SAT-023cfffe-5
0.402
MAK-UNK-b1d4dcd7-4
0.362
AAR-POS-0daf6b7e-26
0.357
MAK-UNK-6435e6c2-9
0.357
SIM-SYN-7db9eb24-2
0.340
TRY-UNI-9f475305-7
0.340
MAK-UNK-b1d4dcd7-5
0.330
ALI-DIA-59c2fdb0-7
0.330
ALI-DIA-59c2fdb0-3
0.318
ALI-DIA-59c2fdb0-8
0.318
MAK-UNK-b1d4dcd7-9
0.315
TRY-UNI-9f475305-6
0.315
MAK-UNK-b1d4dcd7-10
0.312
TRY-UNI-9f475305-8
0.311
ALI-DIA-59c2fdb0-2
0.310
SAD-SAT-c989feaa-4
0.309
ALI-DIA-59c2fdb0-6
0.303
AAR-POS-d2a4d1df-9
0.300
ALI-DIA-59c2fdb0-9
0.297
MAK-UNK-a7992eb3-5
0.297
ALI-DIA-59c2fdb0-1
0.296
FRA-DIA-3f9ae552-1
0.294
MAK-UNK-b1d4dcd7-6
0.294
DAR-DIA-37454fd7-1
0.293
SIM-SYN-3099a863-1
0.283
PET-SGC-210d4c30-1
0.282
DAR-DIA-6a508060-16
0.281
MAK-UNK-1bb0b7ee-11
0.280
MAR-SOS-82e3a7c7-10
0.279
SIM-SYN-3099a863-2
0.279
MAR-SOS-c7881798-11
0.279
DAR-DIA-37454fd7-3
0.277
DRR-IMP-38dce17f-3
0.276
MAK-UNK-7c9d1431-24
0.276
PET-SGC-2aaf6909-1
0.276
MAR-LAB-efb042c5-6
0.275
MAK-UNK-1bb0b7ee-8
0.275
ALI-DIA-59c2fdb0-5
0.274
GIA-UNK-5ec6c2b8-3
0.273
IFT-SAT-023cfffe-4
0.271
MAR-SOS-82e3a7c7-9
0.270
MAR-SOS-c7881798-9
0.270
MAK-UNK-a7992eb3-20
0.270
MAK-UNK-1bb0b7ee-4
0.270
STE-KUL-2e0d2e88-7
0.267
GIA-UNK-595fac82-5
0.266
DAR-DIA-37454fd7-2
0.266
ALI-DIA-59c2fdb0-4
0.265
FRA-DIA-3f9ae552-2
0.264
RAF-SAT-b3ff87a1-1
0.263
DUN-NEW-f8ce3686-25
0.260
MAK-UNK-ec98eaf6-46
0.259
NIM-UNI-36e12f95-2
0.259
FRA-DIA-3f9ae552-3
0.258
JAR-KUA-8c13982c-13
0.257
DAR-DIA-6a508060-14
0.257
AAR-POS-d2a4d1df-24
0.255
YOI-UNK-12211982-4
0.255
YOI-UNK-a533afbc-4
0.255
NIM-UNI-310206f0-51
0.254
MAK-UNK-ec98eaf6-5
0.254
DRA-CSI-47e38074-2
0.253
STU-CHA-0be58c98-1
0.252
SAD-SAT-c989feaa-8
0.252
MAK-UNK-1bb0b7ee-13
0.252
FRA-DIA-8640f307-1
0.252
MED-COV-4280ac29-17
0.250
WIL-UNI-d4749f31-8
0.250
SAL-INS-1c7a5a55-7
0.250
MED-COV-4280ac29-8
0.248
MED-COV-4280ac29-25
0.248
DRA-CSI-47e38074-11
0.248
MAK-UNK-af83ef51-2
0.247
FRA-DIA-8640f307-2
0.246
STU-CHA-09bcc2f6-1
0.243
MAK-UNK-ec98eaf6-11
0.243
MAK-UNK-e4a48a85-4
0.243
GIA-UNK-d2defdc3-9
0.243
MAK-UNK-a7992eb3-26
0.242
MAK-UNK-ec98eaf6-2
0.241
SAD-SAT-29425be4-16
0.241
MAK-UNK-af83ef51-5
0.240
FRA-BIO-8bf1eac9-8
0.240
MAK-UNK-15efde89-1
0.240
NIM-UNI-310206f0-34
0.239
FRA-DIA-8640f307-3
0.239
MAK-UNK-a7992eb3-13
0.239
MAK-UNK-ec98eaf6-58
0.239
BEN-DND-76ad4ac9-9
0.238
MAR-TRE-6a44bbf2-23
0.238
DRA-CSI-47e38074-13
0.238
MED-COV-4280ac29-13
0.238
BEN-DND-03406596-1
0.238
MAK-UNK-3e0761f8-8
0.238
MAK-UNK-3f402c2b-3
0.238
LON-WEI-120e5cf5-5
0.237
STE-KUL-2e0d2e88-6
0.237
MAT-POS-ea426761-98
0.236