Molecular Properties | |
SMILES: | CC(=O)N1CCN(Cc2ccc3nc(C(N)=O)ccc3c2F)C[C@@H](c2cccnc2)C1 |
MW: | 421.476 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 92.42 |
cLogP: | 2.3157 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
KEI-UNI-85a52787-8
0.761
KEI-UNI-85a52787-5
0.740
KEI-UNI-85a52787-7
0.734
KEI-UNI-85a52787-4
0.673
KEI-UNI-85a52787-1
0.606
KEI-UNI-85a52787-9
0.587
KEI-UNI-85a52787-10
0.566
KEI-UNI-85a52787-2
0.519
KEI-UNI-85a52787-3
0.509
MIH-UNI-e573136b-2
0.294
NIM-UNI-363644a0-1
0.281
JUL-TUD-06b2044f-126
0.265
MIC-UNK-460e637d-3
0.264
JUL-TUD-06b2044f-128
0.259
MIH-UNI-e573136b-3
0.258
MAK-UNK-10572812-7
0.257
BEN-DND-031a96cc-3
0.254
JUL-TUD-06b2044f-57
0.250
BEN-VAN-c986b20b-13
0.248
JOO-PER-58e158bd-1
0.248
DRR-IMP-38dce17f-4
0.248
MAK-UNK-10799360-14
0.246
JUL-TUD-06b2044f-72
0.244
MAR-TRE-dab8f6ea-28
0.244
JOE-SYG-2c9a1216-1
0.243
NIR-THE-d08c3b48-1
0.243
VLA-UCB-05e51b3f-1
0.243
NAU-LAT-a5c7d7cb-1
0.243
DUN-NEW-d8381160-1
0.243
BEN-DND-6de5dfa0-11
0.243
ALP-POS-6747fa38-1
0.243
BEN-DND-6de5dfa0-19
0.243
KTA-UNK-dac325de-1
0.242
BEN-DND-031a96cc-7
0.242
MAR-TRE-3159af1a-84
0.242
BEN-DND-6de5dfa0-17
0.241
WAR-XCH-e55cba98-3
0.240
MAK-UNK-b1d4dcd7-9
0.240
BEN-DND-6de5dfa0-20
0.236
BEN-DND-6de5dfa0-21
0.236
BEN-VAN-d8fd1356-21
0.236
STE-KUL-2e0d2e88-3
0.236
NIM-UNI-310206f0-46
0.234
ASH-UNK-40b46b30-7
0.234
DAR-DIA-fc970077-4
0.234
SAD-SAT-b55127ae-4
0.233
BAR-COM-5694a99d-1
0.233
EDJ-MED-3c65e9ce-2
0.232
BEN-DND-6de5dfa0-25
0.231
ANU-UNK-2781581f-2
0.231
JUL-TUD-06b2044f-78
0.230
NIM-UNI-36e12f95-2
0.230
BEN-DND-6de5dfa0-27
0.229
SAD-SAT-135344c3-3
0.229
MAK-UNK-9e4a73aa-2
0.229
JUL-TUD-06b2044f-47
0.227
WAR-XCH-79d12f6e-8
0.227
MIC-SGC-657978c3-6
0.227
MIC-UNK-a28eba03-1
0.226
EDJ-MED-3c65e9ce-3
0.226
AUS-ARG-7cfdce8f-2
0.226
BEN-DND-6de5dfa0-12
0.225
JAV-UNI-4503e1e6-1
0.225
MAR-TRE-2fd8122f-30
0.225
MAR-TRE-c8530538-63
0.225
DAR-DIA-ecdbc7dd-18
0.225
NIM-UNI-310206f0-43
0.224
MAR-TRE-f6f5f473-6
0.224
SAD-SAT-135344c3-9
0.223
MAR-TRE-3159af1a-44
0.223
NIM-UNI-310206f0-65
0.223
SAD-SAT-f25ee457-5
0.222
BEN-DND-93268d01-8
0.222
EDJ-MED-3c65e9ce-1
0.222
JUL-TUD-06b2044f-119
0.222
JUL-TUD-06b2044f-73
0.221
MAR-TRE-9c797165-7
0.221
BEN-VAN-d8fd1356-24
0.221
WAR-XCH-bdd24732-16
0.220
PAT-UNK-b2d83456-4
0.220
THO-SYG-f9b2970d-2
0.220
THO-SYG-f9b2970d-4
0.220
DAR-DIA-fb20be43-9
0.220
JAN-GHE-fd8d85a5-10
0.220
BEN-VAN-d8fd1356-20
0.219
SID-ELM-1f105489-4
0.219
MAR-TRE-2fd8122f-74
0.219
JAN-GHE-fd8d85a5-2
0.218
MAK-UNK-009ebe36-8
0.218
MIC-UNK-a28eba03-2
0.218
WAR-XCH-b0339bbe-19
0.218
MIC-UNK-df342a3f-1
0.218
MAR-TRE-b77b7921-96
0.217
JON-UNI-bb9dc649-4
0.217
DAR-DIA-842b4336-11
0.217
AVI-UNI-70b60925-2
0.217
MAK-UNK-f0bfc2e0-2
0.216
BEN-VAN-d8fd1356-25
0.216
NIC-BIO-25446079-3
0.216
DAR-DIA-fb20be43-7
0.216