Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)c1ccccc1 |
MW: | 197.237 |
Fraction sp3: | 0.0 |
HBA: | 1 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 29.1 |
cLogP: | 2.9389 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-15536 |
Enamine SCR: | Z27782673 |
Enamine REAL: | Z27782673 |
Enamine Extended REAL: | s_22____57709____58911 |
Mcule: | MCULE-2801857425 |
Mcule Ultimate: | ZVSKZLHKADLHSD-UHFFFAOYSA-N |
MolPort: | MolPort-000-564-109 |
CHR-SOS-7098f804-6
0.581
CHR-SOS-7098f804-8
0.545
AAR-UNI-c25c2f1e-82
0.491
CLI-UNI-032f7715-2
0.465
AAR-POS-fca48359-1
0.463
NAU-LAT-64f4b287-8
0.426
SAD-SAT-6b5a89f0-8
0.425
AAR-UNI-c25c2f1e-2
0.414
CHR-SOS-7098f804-7
0.392
JOH-SUS-bab12148-1
0.391
AAR-UNI-c25c2f1e-65
0.390
MAR-TRE-6a44bbf2-71
0.387
MAX-MCD-16e3709a-1
0.386
CAS-DEP-167c18e3-2
0.383
AAR-UNI-c25c2f1e-9
0.381
MAR-TRE-9d18ae8c-18
0.375
AAR-POS-d2a4d1df-11
0.375
BEN-DND-031a96cc-8
0.365
MAR-TRE-9d18ae8c-9
0.364
GIA-UNK-3f36037a-7
0.362
DRA-CSI-13f611db-2
0.345
DRA-CSI-3ab97369-14
0.345
AAR-POS-0daf6b7e-44
0.340
MAR-TRE-4f781e27-49
0.339
AAR-UNI-c25c2f1e-79
0.339
RUT-UNI-630c5802-2
0.338
AAR-UNI-c25c2f1e-30
0.333
MAR-TRE-14ce9fd6-61
0.333
RUT-UNI-630c5802-3
0.329
RUT-UNI-630c5802-4
0.329
RUT-UNI-630c5802-6
0.329
MAR-TRE-fd17a9b8-56
0.329
DAR-DIA-fc970077-9
0.327
RUT-UNI-630c5802-10
0.325
JAG-SYN-9c2cd0bd-9
0.321
RUT-UNI-630c5802-14
0.321
RUT-UNI-630c5802-7
0.321
RUT-UNI-630c5802-8
0.321
WIL-LEE-23e8b574-6
0.321
SID-ELM-2583a2cd-5
0.321
SAD-SAT-2fd372d1-8
0.321
GIA-UNK-3f36037a-4
0.321
WAR-XCH-79d12f6e-10
0.321
WAR-XCH-b0339bbe-20
0.321
RUT-UNI-630c5802-12
0.317
JOH-UNI-c7afdb96-4
0.317
TRY-UNI-714a760b-8
0.316
NIC-UNI-0cb6411b-1
0.315
AAR-POS-0daf6b7e-32
0.315
SID-ELM-2583a2cd-6
0.315
ZAC-WAB-b0242612-1
0.315
AHN-SAT-de2502ba-7
0.315
WAR-XCH-79d12f6e-3
0.315
MAR-TRE-0fda4e82-84
0.313
MAR-TRE-f6f5f473-29
0.313
KEI-TRE-d5e2018a-28
0.313
RUT-UNI-630c5802-11
0.313
RUT-UNI-630c5802-15
0.313
RUT-UNI-630c5802-16
0.313
SID-ELM-8b394441-3
0.309
SID-ELM-8b394441-1
0.309
TAT-ENA-80bfd3e5-23
0.304
SID-ELM-2583a2cd-7
0.304
JOH-UNI-c7afdb96-12
0.304
GIA-UNK-d2defdc3-2
0.304
TRY-UNI-714a760b-4
0.304
ALE-HEI-f28a35b5-1
0.304
WIL-UNI-5578df48-6
0.304
GIA-UNK-3f36037a-2
0.304
NIC-UNI-80385019-1
0.303
DAR-DIA-23aa0b97-20
0.300
MAK-UNK-129dcd6f-6
0.300
JAG-SYN-9c2cd0bd-4
0.298
JOH-UNI-c7afdb96-3
0.298
AAR-POS-0daf6b7e-5
0.298
HAN-NEW-5f56c3bc-1
0.298
CHR-SOS-7098f804-12
0.298
MAR-TRE-e86a56b5-69
0.298
JAG-SYN-9c2cd0bd-14
0.298
AAR-UNI-c25c2f1e-97
0.297
SAN-PRS-52b81272-2
0.296
SWA-SYN-40d44a84-3
0.296
LON-WEI-120e5cf5-15
0.293
MAR-TRE-6a44bbf2-86
0.293
JAG-SYN-9c2cd0bd-3
0.293
DRE-WAB-9b73098a-1
0.293
RUT-UNI-630c5802-1
0.291
LIL-FNM-e1865f24-1
0.290
AAR-UNI-c25c2f1e-39
0.290
SID-ELM-8b394441-5
0.288
MAR-TRE-e86a56b5-66
0.288
WAR-XCH-79d12f6e-1
0.288
WAR-XCH-b0339bbe-12
0.288
ZAC-WAB-0847d168-1
0.288
CUN-WAB-25b584ee-2
0.288
RUT-UNI-630c5802-5
0.287
SID-ELM-2583a2cd-11
0.286
WIL-UNI-5578df48-11
0.286
CAS-DEP-e179b1f5-3
0.286
MAK-UNK-129dcd6f-16
0.286