Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)c1cc(Cl)ccc1CNC1=CC=CC1 |
MW: | 324.811 |
Fraction sp3: | 0.11 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 41.13 |
cLogP: | 4.5257 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Enamines
AAR-POS-d2a4d1df-2
CHR-SOS-7098f804-7
0.431
CHR-SOS-7098f804-8
0.333
CLI-UNI-032f7715-2
0.319
CHR-SOS-7098f804-14
0.307
NAU-LAT-64f4b287-8
0.298
JOH-UNI-c7afdb96-12
0.296
JOH-UNI-522b0723-9
0.296
JOH-UNI-522b0723-8
0.293
CHR-SOS-7098f804-16
0.290
MAR-TRE-0fda4e82-84
0.290
JOH-UNI-522b0723-11
0.290
CHR-SOS-7098f804-9
0.286
JOH-UNI-522b0723-10
0.284
AAR-UNI-c25c2f1e-46
0.282
CHR-SOS-7098f804-11
0.282
JOH-UNI-522b0723-12
0.280
SWA-SYN-40d44a84-3
0.278
JOH-UNI-522b0723-13
0.277
JAG-SYN-9c2cd0bd-9
0.277
JOH-UNI-522b0723-7
0.275
CHR-SOS-7098f804-13
0.272
SAD-SAT-6b5a89f0-8
0.271
CHR-SOS-7098f804-3
0.271
AAR-UNI-c25c2f1e-78
0.267
AAR-UNI-c25c2f1e-51
0.264
CAS-DEP-167c18e3-2
0.264
CHR-SOS-7098f804-4
0.262
JOH-UNI-c7afdb96-4
0.261
MAR-TRE-a3327163-66
0.260
WAR-XCH-b0339bbe-20
0.259
WAR-XCH-79d12f6e-10
0.259
LON-WEI-120e5cf5-15
0.259
MAR-TRE-6a44bbf2-86
0.259
AHN-SAT-de2502ba-7
0.256
AAR-POS-0daf6b7e-44
0.253
MAR-TRE-a78003aa-79
0.253
MAR-TRE-a78003aa-93
0.253
TAT-ENA-80bfd3e5-23
0.250
AAR-UNI-c25c2f1e-31
0.250
MAR-LAB-ff9967db-14
0.248
CHR-SOS-7098f804-15
0.247
JAG-SYN-9c2cd0bd-14
0.247
CAS-DEP-e179b1f5-2
0.245
EDJ-MED-49816e9b-1
0.244
WIL-LEE-23e8b574-6
0.244
GIA-UNK-3f36037a-4
0.244
MAR-TRE-2fd8122f-25
0.243
MAR-TRE-4b834d9a-79
0.243
MAR-TRE-4f781e27-98
0.243
MIC-UNK-10ba69b4-2
0.243
MAR-TRE-6a44bbf2-71
0.242
MAK-UNK-5d2caa6f-20
0.242
BEN-DND-031a96cc-5
0.242
BEN-DND-031a96cc-4
0.242
WAR-XCH-79d12f6e-1
0.241
WAR-XCH-b0339bbe-12
0.241
SID-ELM-2583a2cd-6
0.241
AAR-POS-d2a4d1df-11
0.241
MAR-TRE-fd17a9b8-56
0.240
CAS-DEP-e179b1f5-1
0.240
MAX-MCD-16e3709a-1
0.240
ROB-UNI-daaf9793-3
0.240
SID-ELM-8b394441-13
0.239
AAR-UNI-c25c2f1e-65
0.239
AAR-UNI-c25c2f1e-82
0.239
NIM-UNI-6eebfcd4-1
0.239
MAR-TRE-dab8f6ea-3
0.238
SID-ELM-8b394441-6
0.236
MAR-TRE-2fd8122f-95
0.236
SID-ELM-2583a2cd-7
0.235
BEN-DND-d1eb1f41-6
0.235
MAK-UNK-129dcd6f-7
0.235
ALP-POS-df536be7-2
0.234
MIC-UNK-66895286-3
0.233
MIC-UNK-8373f97b-3
0.233
DRA-CSI-47e38074-9
0.232
MAK-UNK-30aad1f1-3
0.232
RUB-POS-1325a9ea-24
0.232
MAR-TRE-a78003aa-81
0.232
AAR-UNI-c25c2f1e-16
0.231
AAR-UNI-c25c2f1e-30
0.231
JAR-IMP-ed466bb3-9
0.231
SID-ELM-8b394441-7
0.231
JOH-SUS-bab12148-1
0.231
GIA-UNK-3f36037a-7
0.231
MAT-POS-3b92565d-7
0.230
LON-WEI-b2874fec-16
0.230
DRE-WAB-9b73098a-1
0.230
JAG-SYN-9c2cd0bd-3
0.230
MAR-TRE-4f781e27-49
0.230
DAR-DIA-23aa0b97-16
0.230
CHR-SOS-7098f804-18
0.229
CAS-DEP-167c18e3-1
0.229
SID-ELM-2583a2cd-5
0.229
SAD-SAT-2fd372d1-8
0.229
MAK-UNK-10799360-31
0.229
WAR-XCH-6eb0722e-2
0.229
PET-SGC-0f1d26ed-2
0.228
AAR-UNI-c25c2f1e-40
0.228
CUN-WAB-25b584ee-2
0.227