Molecular Properties | |
SMILES: | Cc1cc(NC2CCCC2)cc(C(=O)Nc2ccccc2)c1 |
MW: | 294.398 |
Fraction sp3: | 0.32 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 41.13 |
cLogP: | 4.60182 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
CHR-SOS-7098f804-9
0.383
CHR-SOS-7098f804-8
0.348
NAU-LAT-64f4b287-8
0.342
MAR-TRE-fd17a9b8-56
0.312
JAG-SYN-9c2cd0bd-3
0.299
CLI-UNI-032f7715-2
0.294
BAR-COM-4e090d3a-20
0.292
AAR-POS-fca48359-1
0.284
NIR-THE-0d6461ce-9
0.284
MAX-MCD-16e3709a-1
0.284
CHR-SOS-7098f804-7
0.280
ZAC-WAB-0847d168-1
0.278
WAR-XCH-79d12f6e-1
0.278
WAR-XCH-b0339bbe-12
0.278
MAK-UNK-129dcd6f-16
0.278
AAR-POS-0daf6b7e-44
0.278
ASH-UNK-40b46b30-12
0.277
JOH-UNI-522b0723-12
0.274
WAR-XCH-bdd24732-30
0.272
JOH-SUS-bab12148-1
0.271
JOH-UNI-522b0723-13
0.271
JAG-SYN-9c2cd0bd-9
0.269
NIR-THE-0d6461ce-1
0.268
JOH-UNI-522b0723-7
0.268
LON-WEI-120e5cf5-15
0.266
MAR-TRE-6a44bbf2-86
0.266
KEI-TRE-d5e2018a-90
0.266
MAR-TRE-4f781e27-49
0.266
NIC-UNI-80385019-1
0.265
AAR-UNI-c25c2f1e-30
0.265
CAS-DEP-e179b1f5-3
0.264
ZAC-WAB-b0242612-1
0.263
AAR-POS-0daf6b7e-32
0.263
JOH-UNI-522b0723-9
0.263
BEN-DND-031a96cc-5
0.262
JOH-UNI-c7afdb96-6
0.262
SAD-SAT-6b5a89f0-8
0.262
CHR-SOS-7098f804-18
0.261
JOH-UNI-522b0723-8
0.260
MAR-TRE-4f781e27-98
0.260
JAG-SYN-9c2cd0bd-8
0.259
AAR-UNI-c25c2f1e-82
0.259
JOH-UNI-522b0723-11
0.258
CHR-SOS-7098f804-6
0.257
AAR-UNI-c25c2f1e-45
0.256
MAR-TRE-0fda4e82-84
0.256
MAR-TRE-f6f5f473-29
0.256
KEI-TRE-d5e2018a-28
0.256
MAR-LAB-efb042c5-2
0.255
DAR-DIA-eace69ff-6
0.255
GIA-UNK-3f36037a-7
0.254
JAG-SYN-9c2cd0bd-4
0.253
JAG-SYN-9c2cd0bd-14
0.253
MAK-UNK-c8c8f7e2-26
0.253
MAK-UNK-7a704a63-13
0.253
HAN-NEW-5f56c3bc-1
0.253
JOH-UNI-c7afdb96-7
0.253
MAR-TRE-a3327163-66
0.253
HAN-NEW-5f56c3bc-3
0.253
DAR-DIA-03336633-1
0.253
JAG-SYN-9c2cd0bd-5
0.250
WIL-LEE-23e8b574-6
0.250
SAD-SAT-2fd372d1-8
0.250
JOH-UNI-522b0723-10
0.250
SID-ELM-2583a2cd-5
0.250
WAR-XCH-b0339bbe-9
0.248
MAK-UNK-c8c8f7e2-21
0.247
MED-UNK-e6e8ef8a-1
0.247
SID-ELM-2583a2cd-6
0.247
AHN-SAT-de2502ba-7
0.247
BEN-DND-031a96cc-8
0.247
AAR-POS-d2a4d1df-11
0.247
MAK-UNK-129dcd6f-18
0.245
ASH-UNK-40b46b30-13
0.244
SID-ELM-b654bfa2-19
0.244
JAG-SYN-9c2cd0bd-7
0.244
JOH-UNI-c7afdb96-8
0.244
ARI-TAT-5792557e-5
0.243
DAR-DIA-03336633-2
0.242
MAR-TRE-dab8f6ea-3
0.242
GIA-UNK-d2defdc3-4
0.241
AAR-UNI-c25c2f1e-33
0.241
SID-ELM-8b394441-6
0.241
SID-ELM-b654bfa2-2
0.241
MAK-UNK-c8c8f7e2-19
0.241
DAR-DIA-fc970077-9
0.241
ALE-HEI-f28a35b5-1
0.241
GIA-UNK-d2defdc3-2
0.241
TRY-UNI-714a760b-4
0.241
SID-ELM-2583a2cd-7
0.241
MAR-TRE-14ce9fd6-61
0.240
LON-WEI-120e5cf5-19
0.239
MAK-UNK-c8c8f7e2-29
0.238
MAK-UNK-c8c8f7e2-28
0.238
SID-ELM-b654bfa2-3
0.238
MAK-UNK-7a704a63-14
0.238
MAK-UNK-7a704a63-12
0.237
ALE-HEI-f28a35b5-8
0.237
MAK-UNK-752736de-10
0.236
JAG-SYN-9c2cd0bd-6
0.235