Molecular Properties | |
SMILES: | Cc1cc(CN(C)C(=O)N2CCC(NC(=O)c3ccccc3)CC2)no1 |
MW: | 356.426 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 78.68 |
cLogP: | 2.42922 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-5
0.486
SIM-SYN-3099a863-2
0.471
AAR-POS-d2a4d1df-9
0.453
SIM-SYN-3099a863-1
0.438
RAF-SAT-b3ff87a1-1
0.400
IFT-SAT-023cfffe-2
0.382
IFT-SAT-023cfffe-5
0.379
TRY-UNI-9f475305-8
0.365
TRY-UNI-9f475305-7
0.354
PET-SGC-2aaf6909-1
0.346
MAK-UNK-987948f6-1
0.340
IFT-SAT-023cfffe-4
0.340
DAR-DIA-6a508060-14
0.330
MAR-TRE-e82e6c98-65
0.330
TRY-UNI-9f475305-6
0.327
SIM-SYN-7db9eb24-1
0.323
DAR-DIA-37454fd7-1
0.313
IFT-SAT-023cfffe-1
0.312
FRA-DIA-3f9ae552-1
0.304
MAR-TRE-6a44bbf2-9
0.303
DAR-DIA-37454fd7-3
0.295
PET-SGC-210d4c30-1
0.291
ZAC-WAB-b0242612-1
0.289
MAK-UNK-3f402c2b-18
0.289
GIA-UNK-d2defdc3-5
0.284
DAR-DIA-37454fd7-2
0.283
GIA-UNK-d2defdc3-2
0.282
ALI-DIA-59c2fdb0-3
0.280
GIA-UNK-d2defdc3-4
0.280
MAR-TRE-f5c2d31c-58
0.279
FRA-DIA-8640f307-1
0.278
MAK-UNK-10799360-2
0.277
ZAC-WAB-0847d168-1
0.273
ALI-DIA-59c2fdb0-2
0.273
MAR-TRE-be9ff7d2-8
0.273
FRA-DIA-3f9ae552-2
0.272
ALI-DIA-59c2fdb0-9
0.271
RIC-ARG-a8e88843-1
0.270
MAR-TRE-c317dd82-80
0.268
ALI-DIA-59c2fdb0-8
0.267
ALI-DIA-59c2fdb0-7
0.267
ASH-UNK-40b46b30-4
0.266
MAR-TRE-a9136c7b-64
0.265
MAR-TRE-e82e6c98-78
0.265
FRA-DIA-3f9ae552-3
0.265
SIM-SYN-3099a863-3
0.265
JAR-IMP-dd656357-4
0.265
DAR-DIA-eace69ff-6
0.264
FRA-DIA-8640f307-3
0.264
NIC-UNI-80385019-1
0.262
FRA-DIA-8640f307-2
0.262
ALI-DIA-59c2fdb0-4
0.261
ALI-DIA-59c2fdb0-5
0.259
SCO-CSI-e30c12ee-1
0.259
LON-WEI-120e5cf5-5
0.258
MAT-POS-ea426761-35
0.257
MAK-UNK-6ca90168-11
0.256
MAR-TRE-a9136c7b-89
0.255
DAR-DIA-6a508060-16
0.255
STE-KUL-2e0d2e88-1
0.253
ALI-DIA-59c2fdb0-6
0.252
MIC-SGC-657978c3-2
0.250
MIC-SGC-657978c3-8
0.250
JAR-KUA-41bd5a3d-9
0.250
NIC-UNI-f08e2453-1
0.250
GIA-UNK-d2defdc3-9
0.250
AAR-UNI-c25c2f1e-87
0.250
DAR-DIA-eace69ff-2
0.248
ALI-DIA-59c2fdb0-1
0.248
LON-WEI-4d77710c-63
0.247
LON-WEI-5e7d1b3e-63
0.247
DAR-DIA-eace69ff-20
0.247
GIA-UNK-995df016-10
0.247
GIA-UNK-595fac82-2
0.247
DRA-CSI-47e38074-2
0.247
MAR-TRE-6a44bbf2-71
0.245
DRA-CSI-47e38074-3
0.241
ERI-UCB-fbdd3ea1-8
0.241
BRU-UNI-248b30bc-12
0.241
RAF-SAT-b3ff87a1-2
0.241
GIA-UNK-5ec6c2b8-1
0.241
WAR-XCH-79d12f6e-4
0.239
DAR-DIA-eace69ff-10
0.239
YOI-UNK-a533afbc-4
0.238
MIN-UNA-49990483-1
0.238
YOI-UNK-12211982-4
0.238
NIR-THE-0d6461ce-1
0.237
SAD-SAT-29425be4-16
0.236
NAU-LAT-3f5f3993-3
0.235
MAR-TRE-c317dd82-89
0.235
DRA-CSI-7ec17797-3
0.234
AAR-UNI-c25c2f1e-103
0.234
NAU-LAT-3f5f3993-2
0.234
WIL-UNI-1faa9b10-41
0.234
ROM-UNK-ef52a3c9-4
0.233
YOI-UNK-a533afbc-6
0.232
YOI-UNK-12211982-6
0.232
BAR-COM-0f94fc3d-5
0.232
DRA-CSI-47e38074-13
0.232
MAK-UNK-3e0761f8-8
0.232