Molecular Properties | |
SMILES: | CNC(=O)c1ccc(CCNC(=O)NCc2cc3ccccc3[nH]2)cc1 |
MW: | 350.17 |
Fraction sp3: | 0.2 |
HBA: | 2 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 86.02 |
cLogP: | 2.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-UNI-c25c2f1e-37
0.536
AAR-UNI-c25c2f1e-73
0.449
BEN-BAS-eabb9599-1
0.415
NIM-UNI-bb9030bf-7
0.385
AAR-UNI-c25c2f1e-12
0.340
AAR-UNI-c25c2f1e-27
0.337
AAR-UNI-c25c2f1e-56
0.323
AAR-UNI-c25c2f1e-90
0.322
AAR-UNI-c25c2f1e-7
0.297
JON-UNI-4b544d07-6
0.294
ALP-POS-ddb41b15-8
0.292
WIL-UNI-de614146-15
0.286
ALP-UNI-fe744232-28
0.273
GAB-REV-4a4e2ff3-15
0.271
AAR-UNI-c25c2f1e-97
0.269
AAR-UNI-c25c2f1e-58
0.263
MAT-POS-b5746674-112
0.259
AAR-UNI-c25c2f1e-52
0.257
MAR-TRE-4f781e27-25
0.253
VIJ-CYC-1a381570-3
0.253
JAR-KUA-672ec752-8
0.250
ANT-DIA-b7f58f21-4
0.250
LON-WEI-5e7d1b3e-52
0.248
MAT-POS-2492181e-1
0.248
LON-WEI-4d77710c-52
0.248
OLE-CAR-5b17bec5-3
0.245
AAR-UNI-c25c2f1e-83
0.243
DAR-DIA-d8bd013f-13
0.239
DAR-DIA-d8bd013f-14
0.239
AAR-UNI-c25c2f1e-41
0.238
AAR-UNI-c25c2f1e-72
0.236
GAB-REV-70cc3ca5-7
0.235
AAR-UNI-c25c2f1e-20
0.235
MAR-TRE-c8530538-90
0.235
AAR-POS-d2a4d1df-12
0.233
DAR-DIA-8e329c92-9
0.233
MAR-TRE-8190bb11-69
0.232
AAR-UNI-c25c2f1e-57
0.231
MAT-POS-90fd5f68-20
0.229
MAT-POS-b5746674-27
0.229
EDJ-MED-39aed21e-1
0.227
MAR-TRE-ebcc4ad6-45
0.226
MAR-TRE-f6f5f473-1
0.226
MAT-POS-b5746674-58
0.225
MAR-TRE-4b834d9a-71
0.225
MAR-TRE-0fda4e82-24
0.224
AAR-UNI-c25c2f1e-44
0.224
MAK-UNK-c44f4be0-14
0.224
AAR-UNI-c25c2f1e-81
0.224
MAT-POS-2492181e-4
0.222
AAR-UNI-c25c2f1e-62
0.222
LON-WEI-4d77710c-17
0.222
LON-WEI-5e7d1b3e-17
0.222
ALE-UNK-fca05062-4
0.221
BEN-DND-7e92b6ca-5
0.220
MAK-UNK-27459e11-16
0.220
EDJ-MED-bbe8e3da-2
0.219
EDJ-MED-bbe8e3da-4
0.219
AAR-UNI-c25c2f1e-2
0.219
AAR-UNI-c25c2f1e-99
0.218
ALE-UNK-fca05062-3
0.217
MAT-POS-916a2c5a-2
0.217
ALV-UNI-7ff1a6f9-45
0.216
ASH-IND-65ab4b99-15
0.216
ALP-POS-3fc1724e-1
0.216
ALP-POS-02c6a514-48
0.216
MAR-TRE-be9ff7d2-37
0.216
AAR-UNI-c25c2f1e-96
0.216
MAR-TRE-fd17a9b8-91
0.215
AAR-UNI-c25c2f1e-51
0.215
EDJ-MED-6af13d92-3
0.215
MAT-POS-90fd5f68-2
0.215
AAR-UNI-c25c2f1e-59
0.215
MAR-TRE-c8530538-84
0.215
RAL-THA-1d44ff04-5
0.215
COM-UCB-8c7d23dc-3
0.214
GAB-REV-4a4e2ff3-3
0.214
MAR-TRE-c8530538-69
0.214
MAR-TRE-fd17a9b8-10
0.213
MAR-TRE-fd17a9b8-35
0.212
ROM-UNK-ef52a3c9-4
0.212
ALP-UNI-ed5cdfd2-7
0.212
SAN-PRS-3c4a6997-2
0.211
AAR-POS-d2a4d1df-10
0.211
WIL-LEE-23e8b574-2
0.211
MAR-TRE-4b834d9a-67
0.211
ALV-UNI-7ff1a6f9-46
0.210
MAR-TRE-92684b97-53
0.210
IAN-BAS-9ef79f6c-1
0.210
AAR-UNI-c25c2f1e-29
0.210
AAR-UNI-c25c2f1e-49
0.210
AAR-UNI-c25c2f1e-8
0.210
MAR-TRE-4b834d9a-57
0.210
LON-WEI-4d77710c-31
0.210
LON-WEI-5e7d1b3e-31
0.210
MAT-POS-2492181e-5
0.210
MAR-TRE-fd17a9b8-20
0.209
MAT-POS-ea426761-85
0.209
EDJ-MED-bbe8e3da-1
0.208
LIL-FNM-97d58b1d-1
0.208