Molecular Properties | |
SMILES: | Cc1cnc2c(c1)N(C(=O)CC1CCCCC1)N(C(=O)NC1CC1)C2 |
MW: | 342.21 |
Fraction sp3: | 0.63 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 65.54 |
cLogP: | 3.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
ASH-UNK-40b46b30-12
0.535
SID-ELM-b654bfa2-13
0.295
SID-ELM-b654bfa2-8
0.293
SID-ELM-b654bfa2-9
0.290
SID-ELM-8b394441-17
0.290
TRY-UNI-714a760b-1
0.289
SID-ELM-8b394441-18
0.287
TRY-UNI-714a760b-10
0.281
ALE-HEI-f28a35b5-6
0.281
EDG-MED-0da5ad92-4
0.281
SID-ELM-2583a2cd-19
0.278
SID-ELM-8b394441-23
0.276
SID-ELM-b654bfa2-21
0.275
DAR-DIA-03336633-5
0.274
SID-ELM-8b394441-16
0.272
SID-ELM-2583a2cd-2
0.271
TRY-UNI-714a760b-7
0.264
SID-ELM-8b394441-4
0.264
CHA-KIN-ceadbd93-2
0.261
SID-ELM-2583a2cd-15
0.258
SID-ELM-2583a2cd-16
0.256
TRY-UNI-714a760b-11
0.256
ALE-HEI-f28a35b5-7
0.256
MAR-TRE-f6f5f473-76
0.255
SID-ELM-8b394441-26
0.253
SID-ELM-8b394441-2
0.250
SID-ELM-8b394441-19
0.250
MAK-UNK-f2409524-28
0.248
MAR-TRE-0fda4e82-42
0.248
SID-ELM-8b394441-22
0.248
MAT-POS-ea426761-43
0.245
SID-ELM-8b394441-20
0.245
DOU-UNK-b5326f8f-3
0.245
SID-ELM-2583a2cd-3
0.245
AAR-POS-d2a4d1df-13
0.244
FRA-FAC-9ed5a63a-1
0.244
ALE-HEI-f28a35b5-9
0.244
CLI-TLC-0b41e95c-1
0.243
CHA-KIN-ceadbd93-6
0.243
SID-ELM-2583a2cd-13
0.242
SID-ELM-2583a2cd-18
0.242
SID-ELM-2583a2cd-4
0.240
SID-ELM-8b394441-21
0.240
SID-ELM-8b394441-25
0.240
MAR-TRE-f6f5f473-98
0.239
SID-ELM-2583a2cd-21
0.238
SID-ELM-b654bfa2-16
0.238
SID-ELM-8b394441-24
0.238
SID-ELM-b654bfa2-14
0.238
AAR-UNI-c25c2f1e-96
0.235
MAR-TRE-b77b7921-35
0.235
MED-UNK-e6e8ef8a-8
0.234
ALE-HEI-f28a35b5-8
0.233
SID-ELM-b654bfa2-10
0.233
SID-ELM-2583a2cd-12
0.232
SID-ELM-2583a2cd-1
0.232
MAK-UNK-c97f7c8f-1
0.232
MAK-UNK-f2409524-7
0.231
DAN-MCD-881986d8-1
0.229
RAF-POL-9fce0577-4
0.229
MAK-UNK-f2409524-13
0.229
CLI-TLC-0925f3e9-1
0.229
AAR-POS-d2a4d1df-12
0.228
SID-ELM-b654bfa2-11
0.228
SID-ELM-b654bfa2-20
0.228
SID-ELM-b654bfa2-15
0.228
MAK-UNK-f2409524-20
0.228
MAK-UNK-b2c98f02-1
0.227
MAR-TRE-b77b7921-93
0.227
NIC-UNI-f08e2453-2
0.226
SID-ELM-b654bfa2-12
0.225
MAT-POS-136e7878-1
0.225
MAK-UNK-f2409524-2
0.224
MAR-TRE-3159af1a-49
0.224
MAR-TRE-74c6519b-48
0.224
MAK-UNK-f2409524-34
0.222
MAR-TRE-f6f5f473-70
0.221
SAD-SAT-edc8a235-1
0.221
JAN-GHE-76def03c-1
0.220
MAR-TRE-14ce9fd6-1
0.220
SAN-PRS-52b81272-1
0.220
MAK-UNK-f2409524-19
0.219
LON-WEI-4d77710c-27
0.219
LON-WEI-5e7d1b3e-27
0.219
WAR-XCH-bdd24732-29
0.219
GIA-UNK-3f36037a-1
0.218
MAT-POS-ea426761-47
0.218
MAK-UNK-b2c98f02-3
0.218
MAK-UNK-f2409524-27
0.217
ERI-UCB-d6de1f3c-5
0.216
MAK-UNK-f2409524-3
0.216
CLI-TLC-6e8ddb09-1
0.215
MAR-TRE-3e4e6814-57
0.215
MAR-TRE-74c6519b-61
0.215
MAR-TRE-b77b7921-16
0.214
MAK-UNK-f2409524-6
0.214
NAM-UNK-f7c77a48-2
0.214
VLA-UCB-34f3ed0c-6
0.214
JAN-GHE-76def03c-3
0.214
AAR-UNI-c25c2f1e-3
0.214