Molecular Properties | |
SMILES: | N[C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[C@H]2C(=O)N(C(=O)Nc2ccccc2-c2cocn2)c2cccnc2)C1 |
MW: | 502.575 |
Fraction sp3: | 0.37 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 143.45 |
cLogP: | 3.5715 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter93_acetyl_urea
AAR-POS-d2a4d1df-11
MED-UNK-40f14d64-1
0.654
MED-UNK-91aaf3ac-1
0.609
MED-UNK-55e26634-1
0.475
MED-UNK-cd1acb4a-1
0.444
MAR-TRE-b77b7921-97
0.357
MIC-SGC-657978c3-5
0.294
MAR-TRE-74c6519b-91
0.288
MAR-TRE-f6f5f473-81
0.274
MIC-SGC-657978c3-6
0.271
BEN-DND-031a96cc-7
0.252
IAN-BAS-a5a0ad12-1
0.250
SIM-SYN-a98e6a07-2
0.250
MIC-SGC-657978c3-7
0.248
MAR-TRE-04c86cea-40
0.244
MAR-TRE-74c6519b-81
0.244
MAR-TRE-3e4e6814-55
0.242
WIL-UNI-5578df48-37
0.241
BEN-BAS-ec4a2f8b-1
0.239
MAR-TRE-fd17a9b8-44
0.237
ALP-POS-ced8ea4d-14
0.237
DAR-DIA-fc970077-9
0.237
MIC-SGC-657978c3-8
0.235
SIM-SYN-a98e6a07-1
0.235
MAR-TRE-04c86cea-68
0.235
ASH-UNK-40b46b30-9
0.232
MAR-TRE-f6f5f473-35
0.231
ALP-POS-ced8ea4d-2
0.230
HUB-UNK-9845d277-3
0.230
WIL-UNI-5578df48-17
0.230
MAR-TRE-7f7bb9f0-33
0.228
MAR-TRE-b77b7921-71
0.228
ALP-UNI-fe744232-13
0.228
NJA-MAN-00c90aa2-43
0.227
ALP-POS-ced8ea4d-45
0.227
ALP-POS-ced8ea4d-13
0.227
ALP-POS-ced8ea4d-22
0.227
MAK-UNK-8fdbca50-33
0.226
MAR-TRE-2fd8122f-12
0.226
ALP-POS-88a7a97e-26
0.226
WIL-UNI-5578df48-8
0.225
MAR-TRE-d0525fbf-54
0.225
ALP-POS-88a7a97e-27
0.224
SAN-PRS-52b81272-1
0.224
PET-UNK-a17c93d1-1
0.224
ALP-POS-ced8ea4d-63
0.224
BEN-BAS-bba3cb69-1
0.223
MAR-TRE-67513f76-37
0.223
VLA-UNK-61877630-1
0.223
MAK-UNK-8fdbca50-19
0.223
ALP-POS-ced8ea4d-42
0.222
ALP-POS-ced8ea4d-61
0.222
ALP-POS-88a7a97e-45
0.221
MAK-UNK-8fdbca50-36
0.221
MAK-UNK-8fdbca50-37
0.221
ALP-POS-02c6a514-16
0.221
ALP-POS-b0bc6a46-10
0.221
DAR-DIA-bd041b9b-1
0.220
MAK-UNK-b2c98f02-8
0.220
JOR-UNI-61e7b1d5-21
0.220
MAR-TRE-d0525fbf-78
0.220
MAK-UNK-8fdbca50-32
0.219
MAR-TRE-b77b7921-80
0.219
MAR-TRE-e82e6c98-10
0.219
ALP-POS-ced8ea4d-60
0.219
RAL-THA-a9c31980-2
0.219
MAR-TRE-b77b7921-84
0.218
DAR-DIA-9e4459de-29
0.218
ALP-POS-ced8ea4d-64
0.218
JUL-TUD-06b2044f-154
0.217
ALP-POS-ced8ea4d-43
0.217
JOR-UNI-2fc98d0b-16
0.216
MAK-UNK-de9577cf-4
0.216
NAU-LAT-64f4b287-10
0.216
RAL-THA-a9c31980-9
0.216
ALP-POS-ced8ea4d-66
0.216
WIL-UNI-5578df48-6
0.216
MAR-TRE-3e4e6814-81
0.215
BAR-COM-5694a99d-1
0.215
MAR-TRE-04c86cea-27
0.215
JOR-UNI-61e7b1d5-19
0.215
ALP-POS-ced8ea4d-17
0.215
ALP-POS-ced8ea4d-6
0.215
DAN-PUR-3907f623-3
0.215
MAR-TRE-f6f5f473-30
0.215
MAR-TRE-2fd8122f-8
0.215
AUS-ARG-7cfdce8f-8
0.215
MAK-UNK-8fdbca50-34
0.215
DAR-DIA-9e4459de-30
0.215
MAR-TRE-74c6519b-54
0.214
BRU-THA-92256091-10
0.214
EMI-TUK-a58865cc-7
0.214
LEO-EVO-0d2ed6fc-3
0.214
ALE-HEI-f28a35b5-8
0.214
MAK-UNK-702fb7d3-2
0.213
MAK-UNK-702fb7d3-9
0.213
ALP-POS-ced8ea4d-54
0.213
JOR-UNI-2fc98d0b-17
0.213
ALP-POS-88a7a97e-14
0.213
TRY-UNI-69298daf-5
0.213
FRA-FAC-9ed5a63a-4
0.213