Molecular Properties | |
SMILES: | CNC(=O)Nc1cncc(N(CC2CC2)C(=O)c2ccncc2)c1 |
MW: | 325.372 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 87.22 |
cLogP: | 2.2847 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
SID-ELM-2583a2cd-7
0.309
NIM-UNI-310206f0-46
0.304
SID-ELM-2583a2cd-15
0.299
IAN-BAS-e945b602-1
0.295
NIM-UNI-310206f0-42
0.288
SID-ELM-2583a2cd-19
0.276
JOR-UNI-2fc98d0b-8
0.271
SID-ELM-2583a2cd-6
0.268
MIC-SGC-657978c3-6
0.264
WAR-XCH-bdd24732-13
0.262
WIL-UNI-5578df48-25
0.260
JOR-UNI-61e7b1d5-9
0.260
GIA-UNK-595fac82-3
0.253
FRA-FAC-9ed5a63a-3
0.253
JAN-LUN-3e0f9c09-4
0.253
JAN-LUN-8953ce76-7
0.253
JAN-LUN-8953ce76-1
0.253
DAR-DIA-23aa0b97-15
0.250
JOR-UNI-61e7b1d5-19
0.250
MED-UNK-e6e8ef8a-3
0.250
WIL-UNI-354943b6-5
0.248
JOR-UNI-61e7b1d5-20
0.248
MAR-TRE-7f7bb9f0-33
0.247
MAR-TRE-799db12b-2
0.247
ALP-POS-02c6a514-26
0.246
JOR-UNI-61e7b1d5-21
0.245
MAR-TRE-f6f5f473-58
0.245
MIC-SGC-657978c3-8
0.244
MED-UNK-e6e8ef8a-4
0.244
ALE-HEI-f28a35b5-8
0.244
DAN-PUR-19f24f0c-1
0.243
BEN-BAS-2a7c309d-1
0.243
DAR-DIA-23aa0b97-8
0.242
SID-ELM-2583a2cd-5
0.241
JOR-UNI-2fc98d0b-12
0.240
WIL-UNI-5578df48-23
0.240
MAR-TRE-799db12b-51
0.240
MIC-SGC-657978c3-5
0.240
MAR-TRE-b77b7921-74
0.240
MAT-POS-590ac91e-14
0.239
MAT-POS-590ac91e-5
0.239
DAR-DIA-23aa0b97-13
0.239
CHR-SOS-363cfb78-1
0.239
WIL-UNI-5578df48-21
0.239
SID-ELM-2583a2cd-16
0.239
BAR-COM-21d20d65-2
0.238
JAN-LUN-04aedcc0-1
0.237
JAN-LUN-8953ce76-4
0.237
JAN-LUN-3e0f9c09-1
0.237
JAN-LUN-8953ce76-6
0.237
JAN-LUN-3e0f9c09-2
0.237
MIC-SGC-657978c3-4
0.237
CHR-SOS-363cfb78-2
0.237
FRA-FAC-9ed5a63a-2
0.236
MED-UNK-e6e8ef8a-2
0.236
ALP-UNI-fe744232-12
0.236
MAR-TRE-2fd8122f-27
0.235
MAR-TRE-67513f76-6
0.235
MAR-TRE-f6f5f473-36
0.235
MAR-TRE-3e4e6814-59
0.235
MAR-TRE-3e4e6814-49
0.235
NIM-UNI-310206f0-51
0.234
JOR-UNI-2fc98d0b-14
0.234
MAK-UNK-009ebe36-9
0.234
JOR-UNI-61e7b1d5-18
0.234
WIL-UNI-5578df48-10
0.233
JAN-LUN-3e0f9c09-3
0.233
TAM-UNI-c140e31a-20
0.233
WAR-XCH-eb7b662f-6
0.233
MAR-TRE-92684b97-46
0.232
ALP-POS-95b75b4d-10
0.232
NIM-UNI-310206f0-54
0.232
JAG-UCB-a3ef7265-7
0.232
MAR-TRE-799db12b-39
0.232
FRA-FAC-9ed5a63a-6
0.232
MAR-TRE-2fd8122f-58
0.232
ASH-UNK-40b46b30-7
0.231
MIC-UNK-bcd487e9-3
0.231
HAR-NEW-ca1d46ce-2
0.231
IAN-BAS-0ac8c25d-1
0.231
SAD-SAT-689b7d5a-9
0.231
MAR-TRE-2fd8122f-81
0.231
BAR-COM-21d20d65-5
0.230
MAK-UNK-129dcd6f-16
0.230
MAR-TRE-4b834d9a-24
0.229
MAR-TRE-3e4e6814-62
0.229
MAR-TRE-3e4e6814-67
0.229
ALE-HEI-f28a35b5-15
0.229
NAU-LAT-b7d8c353-1
0.229
MAR-TRE-2fd8122f-8
0.229
TAM-UNI-c140e31a-2
0.229
WIL-UNI-5578df48-22
0.228
SAD-SAT-689b7d5a-3
0.228
FRA-FAC-9ed5a63a-4
0.228
MAR-TRE-3e4e6814-45
0.228
MAR-TRE-be9ff7d2-95
0.228
FRA-FAC-9ed5a63a-1
0.227
AAR-POS-d2a4d1df-13
0.227
ALE-HEI-f28a35b5-9
0.227
MIC-UNK-bcd487e9-2
0.227