Molecular Properties | |
SMILES: | CN(C(=O)NC1CC1)c1ncc2ccc(NC(=O)c3ccccc3)cc2n1 |
MW: | 361.405 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 87.22 |
cLogP: | 3.1903 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CHR-SOS-7098f804-9
0.303
MAR-TRE-6a44bbf2-71
0.296
MIC-SGC-657978c3-8
0.290
ZAC-WAB-b0242612-1
0.287
MAR-TRE-9d18ae8c-9
0.284
CHR-SOS-7098f804-6
0.282
MAR-TRE-9d18ae8c-18
0.277
AAR-POS-fca48359-1
0.277
MIC-SGC-657978c3-2
0.276
AAR-UNI-c25c2f1e-2
0.268
AAR-UNI-c25c2f1e-82
0.268
AAR-UNI-c25c2f1e-9
0.267
GIA-UNK-d2defdc3-2
0.267
CAS-DEP-167c18e3-2
0.265
AAR-POS-0daf6b7e-5
0.264
SIM-SYN-7db9eb24-2
0.262
RUT-UNI-630c5802-15
0.261
RUT-UNI-630c5802-11
0.261
MIC-SGC-657978c3-1
0.260
SIM-SYN-a98e6a07-4
0.252
RUT-UNI-630c5802-12
0.252
RUT-UNI-630c5802-16
0.250
COM-UCB-1ef4e90e-4
0.250
RUT-UNI-630c5802-4
0.248
IFT-SAT-023cfffe-4
0.246
RUT-UNI-630c5802-10
0.246
GIA-UNK-d2defdc3-5
0.245
RUT-UNI-630c5802-8
0.244
RUT-UNI-630c5802-7
0.244
RUT-UNI-630c5802-14
0.244
DRA-CSI-3ab97369-8
0.243
SIM-SYN-a98e6a07-2
0.243
RUT-UNI-630c5802-13
0.242
MAR-TRE-e82e6c98-38
0.240
RUT-UNI-630c5802-9
0.240
MIC-SGC-657978c3-7
0.240
MAR-TRE-c317dd82-16
0.238
RUT-UNI-630c5802-3
0.237
RUT-UNI-630c5802-6
0.237
ASH-UNK-40b46b30-12
0.236
BEN-DND-09b88bf4-1
0.236
BEN-DND-6de5dfa0-2
0.236
DRA-CSI-7ec17797-3
0.235
RUT-UNI-630c5802-5
0.234
RUT-UNI-630c5802-2
0.231
DRA-CSI-7ec17797-1
0.230
MAR-LAB-efb042c5-2
0.229
DAR-DIA-03336633-1
0.228
HAN-NEW-5f56c3bc-3
0.228
GIA-UNK-d2defdc3-4
0.228
ALP-POS-90c18d1d-1
0.227
AAR-UNI-c25c2f1e-87
0.227
MAR-TRE-f6f5f473-67
0.227
IFT-SAT-023cfffe-2
0.227
MIZ-UNK-e844285e-1
0.227
DRA-CSI-13f611db-2
0.227
DRA-CSI-3ab97369-14
0.227
MAT-POS-90fd5f68-26
0.226
DAR-DIA-03336633-7
0.226
AAR-POS-d2a4d1df-9
0.226
RUT-UNI-630c5802-1
0.226
MAR-LAB-ff9967db-5
0.225
IFT-SAT-023cfffe-5
0.225
MED-COV-4280ac29-1
0.225
CHR-SOS-7098f804-8
0.225
WIL-UNI-2a57d06c-31
0.224
AAR-UNI-c25c2f1e-41
0.224
NIC-UNI-0cb6411b-1
0.223
JOH-UNI-522b0723-12
0.223
ASH-UNK-40b46b30-4
0.222
DRA-CSI-0a78d9ba-12
0.220
WIL-UNI-2a57d06c-29
0.219
DAR-DIA-03336633-2
0.219
MAR-TRE-66ac689e-31
0.219
ZAC-WAB-0847d168-1
0.219
TRY-UNI-714a760b-11
0.219
ALE-HEI-f28a35b5-7
0.219
MAR-TRE-8190bb11-69
0.218
NAU-LAT-64f4b287-8
0.216
MAR-TRE-74c6519b-48
0.216
SID-ELM-8b394441-15
0.216
AAR-UNI-c25c2f1e-45
0.216
MAT-POS-590ac91e-25
0.216
WAR-XCH-bdd24732-43
0.216
IAN-BAS-0ac8c25d-1
0.216
MAR-TRE-799db12b-34
0.215
MAR-TRE-4f781e27-47
0.215
JOH-UNI-f51e3bbc-4
0.215
BEN-BAS-2a7c309d-1
0.214
WAR-XCH-bdd24732-42
0.214
MAR-TRE-799db12b-39
0.214
MAR-TRE-9d18ae8c-2
0.214
IFT-SAT-023cfffe-1
0.213
MAR-TRE-799db12b-25
0.213
MAK-UNK-1e8f9e3c-2
0.212
JOH-UNI-522b0723-8
0.212
MAK-UNK-f2409524-7
0.212
BEN-DND-02317c5c-4
0.212
MAR-TRE-04c86cea-79
0.211
MAR-TRE-799db12b-51
0.211