Molecular Properties | |
SMILES: | CC(=O)N1CCN(Cc2ccc3cc(C(N)=O)ccc3c2F)C[C@@H](c2cccnc2)C1 |
MW: | 420.488 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 79.53 |
cLogP: | 2.9207 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
KEI-UNI-85a52787-1
0.740
KEI-UNI-85a52787-6
0.673
KEI-UNI-85a52787-5
0.637
KEI-UNI-85a52787-8
0.588
KEI-UNI-85a52787-2
0.577
KEI-UNI-85a52787-7
0.567
KEI-UNI-85a52787-3
0.566
KEI-UNI-85a52787-9
0.557
KEI-UNI-85a52787-10
0.537
MIH-UNI-e573136b-2
0.305
NIM-UNI-363644a0-1
0.302
JUL-TUD-06b2044f-126
0.277
BEN-VAN-c986b20b-13
0.270
JUL-TUD-06b2044f-119
0.265
MIC-UNK-460e637d-3
0.264
JUL-TUD-06b2044f-57
0.261
JUL-TUD-06b2044f-128
0.259
MIH-UNI-e573136b-3
0.258
IAN-BAS-df1706d7-1
0.257
MAK-UNK-10799360-14
0.256
KTA-UNK-dac325de-1
0.255
BEN-BAS-c3742787-1
0.255
MAR-TRE-dab8f6ea-28
0.254
BEN-DND-6de5dfa0-27
0.252
THO-SYG-f9b2970d-2
0.252
WAR-XCH-bdd24732-16
0.250
JOO-PER-58e158bd-1
0.248
DRR-IMP-38dce17f-4
0.248
MAR-TRE-2fd8122f-30
0.246
JUL-TUD-06b2044f-72
0.244
ASH-UNK-40b46b30-7
0.244
SAD-SAT-135344c3-9
0.244
WIL-UNI-5578df48-30
0.244
BEN-DND-031a96cc-7
0.242
THO-SYG-f9b2970d-4
0.241
UNK-UNK-2ede4078-11
0.241
NIM-UNI-310206f0-65
0.241
BEN-DND-6de5dfa0-17
0.241
JOR-UNI-2fc98d0b-5
0.240
WAR-XCH-b0339bbe-19
0.238
STE-KUL-2e0d2e88-3
0.236
BEN-VAN-c986b20b-9
0.235
MAR-TRE-a9136c7b-47
0.235
MAR-TRE-c8530538-63
0.234
NIM-UNI-310206f0-43
0.234
NIM-UNI-310206f0-46
0.234
DAR-DIA-fc970077-4
0.234
SAD-SAT-b55127ae-4
0.233
BEN-DND-031a96cc-3
0.233
BAR-COM-5694a99d-1
0.233
JUL-TUD-06b2044f-154
0.233
DUN-NEW-d8381160-1
0.232
JAN-GHE-fd8d85a5-10
0.231
BEN-DND-6de5dfa0-25
0.231
JUL-TUD-06b2044f-73
0.231
DAR-DIA-fb20be43-9
0.231
ANU-UNK-2781581f-2
0.231
SAD-SAT-f0a2747f-8
0.230
PAU-UNI-b33c5197-1
0.230
SAD-SAT-689b7d5a-7
0.230
JAN-GHE-fd8d85a5-2
0.229
MAT-POS-90fd5f68-1
0.229
SAD-SAT-f25ee457-7
0.229
DAR-DIA-842b4336-11
0.229
DAR-DIA-842b4336-12
0.229
MAR-TRE-2fd8122f-74
0.228
MAR-TRE-b77b7921-96
0.228
JUL-TUD-06b2044f-136
0.228
AVI-UNI-70b60925-2
0.227
DAR-DIA-fb20be43-7
0.226
AUS-ARG-7cfdce8f-2
0.226
MAC-MCD-76766525-1
0.226
MAR-TRE-7f7bb9f0-30
0.226
BEN-DND-6de5dfa0-20
0.225
BEN-VAN-d8fd1356-21
0.225
JAV-UNI-4503e1e6-1
0.225
SAD-SAT-135344c3-7
0.225
MIH-UNI-e573136b-4
0.224
ALE-MCD-4ac17b19-1
0.224
HEI-REL-0c990a45-4
0.224
MAR-TRE-f6f5f473-6
0.224
ALE-HEI-f28a35b5-16
0.223
DAR-DIA-fb20be43-2
0.223
MIH-UNI-3396182e-13
0.223
NAU-LAT-64f4b287-10
0.223
JOR-UNI-2fc98d0b-16
0.223
MAK-UNK-ae34c249-1
0.222
TAM-UNI-d1c3dd9f-13
0.222
BEN-VAN-c986b20b-4
0.222
MAK-UNK-10572812-7
0.222
JOR-UNI-61e7b1d5-14
0.222
MAR-TRE-9c797165-7
0.221
MAT-POS-ea426761-63
0.221
EDJ-MED-3c65e9ce-2
0.221
NIM-UNI-310206f0-27
0.220
MAK-UNK-b1d4dcd7-9
0.220
AAR-POS-d2a4d1df-40
0.220
MED-COV-4280ac29-31
0.220
BEN-DND-6de5dfa0-19
0.220
MAK-UNK-37f1d6fa-7
0.220