Molecular Properties | |
SMILES: | C1NPP(C2CNSP[SH]2N[SH]2CPSSC2)C(C2NCCP[SH]2[SH]2NNSPP2C2SNPC[SH]2[SH]2NPSCP2C2NPPS[SH]2P2PPSSP2P2NSNN[SH]2[SH]2SPPNC2C2NCCN[SH]2N2CSNPC2CCC2PPSC[SH]2C2NSPNN2[SH]2PPPSP2)N1 |
MW: | 2,372.31 |
Fraction sp3: | 1.0 |
HBA: | 36 |
HBD: | 31 |
Rotatable Bonds: | 18 |
TPSA: | 235.05 |
cLogP: | 22.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
gte_4_basic_N
hydrazine
phosphite
phosphorous_nitrogen_bond
phosphorus_phosphorus_bond
phosphorus_sulfur_bond
sulf_D2_nitrogen
sulf_D3_nitrogen
phosphor
Sulphur-nitrogen single bond
Methylendiamines (2)
Methylendiamines (3)
Disulfides
Dialkyl(aryl) phosphorus containing compounds
Phosphorus derivatives
Filter20_hydrazine
Filter35_pp_bond
Filter61_phosphor_halide_and_P_S_bond
42
thiols
disulfide
thiol
Hetero_hetero
disulfides
Dithiomethylene_acetal
N-S_(not_sulfonamides)
BUG-UNK-6d12595f-1
0.152
SHA-THE-408e7524-12
0.140
PRA-UNK-c22cca29-1
0.137
SHA-THE-408e7524-16
0.133
PRA-UNK-95a569ae-1
0.129
ED_-GRI-5b13fbe2-16
0.127
ED_-GRI-5b13fbe2-17
0.127
ED_-GRI-5b13fbe2-18
0.127
ED_-GRI-5b13fbe2-49
0.119
PRA-UNK-35958606-1
0.118
ALP-UNI-0676e700-27
0.116
ED_-GRI-5b13fbe2-58
0.115
SHA-THE-408e7524-14
0.115
JES-UNI-b85e50eb-1
0.114
JON-MED-9b53ef5c-2
0.113
EDG-MED-4c68219f-1
0.113
ED_-GRI-5b13fbe2-52
0.113
JOH-MSK-b735e33c-1
0.112
JON-MED-8431cefe-1
0.112
VLA-UNK-f702bf1c-5
0.111
ED_-GRI-5b13fbe2-55
0.111
ED_-GRI-5b13fbe2-37
0.111
JRB-FNM-036b040c-1
0.110
ED_-GRI-5b13fbe2-35
0.110
CHA-KIN-87c379ac-2
0.110
ALI-UNA-2b043f64-1
0.110
MAR-TRE-04c86cea-28
0.109
DAR-DIA-43a5904b-16
0.109
DAR-DIA-43a5904b-14
0.109
ALP-UNI-0676e700-25
0.109
ED_-GRI-5b13fbe2-36
0.108
KAD-UNI-8a629cb0-12
0.108
ED_-GRI-5b13fbe2-6
0.108
EDJ-MED-ee81482e-4
0.108
MAK-UNK-83e0a0b4-1
0.108
___-UNK-ef33fd27-1
0.107
DAV-CRI-f9b12666-3
0.107
ED_-GRI-5b13fbe2-7
0.107
JON-MED-9b53ef5c-1
0.107
EDG-MED-4c68219f-5
0.106
DAR-DIA-9e4459de-4
0.106
DAR-DIA-43a5904b-15
0.106
EDJ-MED-40433386-1
0.106
MAT-POS-932d1078-1
0.106
EDJ-MED-4c7486ba-10
0.106
EDJ-MED-4c7486ba-7
0.106
KAD-UNI-cb0f2bbc-8
0.106
MAT-POS-24589f88-6
0.106
DAR-DIA-f6ee7aeb-6
0.105
EDG-MED-4c68219f-9
0.105
VLA-UNK-f702bf1c-4
0.105
MIN-UNA-49990483-1
0.105
VLA-UCB-34f3ed0c-18
0.105
CHO-MSK-5891c1ff-5
0.105
AMY-UNI-cb679e5b-1
0.105
KAD-UNI-b13decd3-8
0.105
MAT-POS-61f37a1a-11
0.105
DAR-DIA-37454fd7-1
0.105
ED_-GRI-5b13fbe2-66
0.104
ALP-UNI-8e43a71e-14
0.104
KAD-UNI-cb0f2bbc-13
0.104
ALP-UNI-3496895b-14
0.104
MAT-POS-61f37a1a-15
0.104
PET-UNK-c6bcc80b-12
0.104
PET-UNK-c6bcc80b-5
0.104
MAK-UNK-83e0a0b4-4
0.104
KAD-UNI-8a629cb0-16
0.104
ED_-GRI-5b13fbe2-45
0.104
ALP-UNI-3496895b-12
0.104
ALP-UNI-8e43a71e-12
0.104
VLA-UCB-34f3ed0c-16
0.104
IVS-FNM-fbbb64fc-1
0.104
MAT-POS-69786b79-2
0.104
ALP-UNI-0676e700-2
0.104
EDJ-MED-4138fde9-4
0.103
HOL-KAN-13beedf0-1
0.103
ALP-UNI-0676e700-30
0.103
VLA-UCB-34f3ed0c-15
0.103
PET-UNK-c6bcc80b-11
0.103
MAK-UNK-8fdbca50-37
0.103
MAT-POS-932d1078-6
0.103
VIK-UNK-2b2cc3cc-1
0.103
PET-UNK-c6bcc80b-4
0.103
PET-UNK-7b413b46-4
0.103
PET-UNK-7b413b46-8
0.103
PET-UNK-5ddd54c7-2
0.103
ALP-POS-e980f4ea-3
0.103
EDG-MED-4c68219f-7
0.103
FRA-DIA-6d2bfd8c-1
0.103
EDJ-MED-40433386-9
0.103
MAK-UNK-83e0a0b4-2
0.103
PET-UNK-7b413b46-7
0.102
PET-UNK-7b413b46-3
0.102
VLA-UCB-00f2c2b3-4
0.102
MIC-UNK-deda7a44-9
0.102
DAR-DIA-37454fd7-3
0.102
MAK-UNK-9a6be56d-10
0.102
CHO-MSK-5891c1ff-4
0.102
ALP-POS-2da19ca7-4
0.102
KAD-UNI-8a629cb0-5
0.102