Molecular Properties | |
SMILES: | Cc1ccc(C(=O)N(CC2CCCCC2)c2nc3c(C)ccnc3[nH]2)cc1 |
MW: | 362.477 |
Fraction sp3: | 0.41 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 61.88 |
cLogP: | 4.80184 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
WAR-XCH-b0339bbe-3
0.330
MAK-UNK-3e0761f8-6
0.324
WAR-XCH-79d12f6e-14
0.313
JOR-UNI-61e7b1d5-21
0.312
WAR-XCH-b0339bbe-1
0.306
JOR-UNI-61e7b1d5-20
0.292
SAN-PRS-52b81272-1
0.284
WAR-XCH-bdd24732-10
0.283
MIC-UNK-bcd487e9-2
0.282
ALV-UNI-7ff1a6f9-48
0.281
JOR-UNI-61e7b1d5-19
0.281
EDG-MED-0da5ad92-4
0.275
TRY-UNI-714a760b-10
0.275
ALE-HEI-f28a35b5-6
0.275
WAR-XCH-b0339bbe-2
0.275
MAT-POS-136e7878-1
0.266
BEN-BAS-26f6b627-1
0.262
CLI-TLC-0b41e95c-1
0.262
CHA-KIN-cd2ef30b-3
0.258
SID-ELM-8b394441-2
0.258
SID-ELM-8b394441-4
0.258
AAR-POS-d2a4d1df-13
0.253
FRA-FAC-9ed5a63a-1
0.253
ALE-HEI-f28a35b5-9
0.253
SID-ELM-2583a2cd-12
0.253
MIC-UNK-bcd487e9-3
0.252
MIC-UNK-ea979c74-4
0.252
WAR-XCH-bdd24732-37
0.250
WAR-XCH-bdd24732-11
0.248
MAR-TRE-c8530538-24
0.248
SID-ELM-2583a2cd-4
0.248
CHA-KIN-cd2ef30b-2
0.246
WAR-XCH-bdd24732-36
0.245
MAT-POS-136e7878-2
0.243
WAR-XCH-bdd24732-12
0.243
NIM-UNI-bb9030bf-10
0.243
MIC-SGC-657978c3-2
0.242
ALE-HEI-f28a35b5-8
0.242
CHA-KIN-f512e507-1
0.239
JOR-UNI-2fc98d0b-12
0.239
CHA-KIN-ceadbd93-6
0.238
SID-ELM-2583a2cd-18
0.238
MAR-TRE-f6f5f473-88
0.237
MAT-POS-173a45da-1
0.237
HAN-NEW-5f56c3bc-5
0.237
TRY-UNI-714a760b-11
0.237
ALE-HEI-f28a35b5-7
0.237
DAN-MCD-881986d8-1
0.236
CLI-TLC-0925f3e9-1
0.236
MAK-UNK-009ebe36-3
0.236
DAR-DIA-1d7f034a-1
0.236
MAR-UCB-ad2ff052-3
0.236
MAT-POS-53907a1c-2
0.235
MIC-SGC-657978c3-4
0.235
MAR-TRE-92684b97-83
0.235
MAR-TRE-c8530538-65
0.234
SID-ELM-2583a2cd-21
0.233
SID-ELM-b654bfa2-12
0.233
ALV-UNI-7ff1a6f9-45
0.232
JOR-UNI-61e7b1d5-18
0.232
MAR-TRE-b77b7921-16
0.232
CHA-KIN-cd2ef30b-1
0.231
SID-ELM-8b394441-22
0.231
CHA-KIN-f512e507-3
0.230
MAK-UNK-3e0761f8-5
0.229
MAR-TRE-c8530538-69
0.229
SID-ELM-2583a2cd-1
0.228
SID-ELM-2583a2cd-2
0.228
ADA-UCB-dc2b944c-17
0.227
AGN-NEW-9d245c51-2
0.226
CHA-KIN-04ae69e8-1
0.225
MAR-TRE-f6f5f473-9
0.224
VLA-UCB-05e51b3f-14
0.224
EDJ-MED-c314995a-1
0.224
SID-ELM-8b394441-25
0.223
CHA-KIN-f512e507-2
0.223
MAR-TRE-f6f5f473-23
0.222
MIC-SGC-657978c3-6
0.222
CLI-TLC-6e8ddb09-1
0.222
EDG-MED-0da5ad92-9
0.222
NAM-UNK-f7c77a48-2
0.221
MAK-UNK-f2409524-33
0.221
MAT-POS-590ac91e-23
0.221
VLA-UCB-34f3ed0c-6
0.220
MAR-TRE-c8530538-79
0.220
LON-WEI-120e5cf5-13
0.220
RAY-UNI-5365d7e5-1
0.220
ADA-UCB-dc2b944c-2
0.220
MAT-POS-ea426761-27
0.219
MAR-TRE-f6f5f473-43
0.219
NIM-UNI-310206f0-46
0.219
MAT-UCB-70f7c0f7-5
0.219
SID-ELM-2583a2cd-19
0.219
CHA-KIN-6d173bb5-2
0.218
MAR-TRE-3e4e6814-70
0.218
GAB-REV-70cc3ca5-5
0.218
MED-UNK-e6e8ef8a-8
0.218
MAR-TRE-c8530538-54
0.218
MAR-TRE-9d18ae8c-57
0.218
MAR-TRE-3724962b-10
0.218