MMsINC Database Search


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MMsINC code: MMs01263808

Type: Neutral
Formula: C₁₈H₁₀Cl₂N₄O₃

SMILES:

Clc1cc(Cl)cc(C(=O)c2cnc(nc2)Nc2oc3c(n2)cccc3)c1O

InChI:

InChI=1/C18H10Cl2N4O3/c19-10-5-11(16(26)12(20)6-10)15(25)9-7-21-17(22-8-9)24-18-23-13-3-1-2-4-14(13)27-18/h1-8,26H,(H,21,22,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.4191 kcal/mol

Physical Properties
Molecular Weight: 401.209 g/mol	logS: -6.92099	SlogP: 4.6048	Reactive groups: 0

Topological Properties
Globularity: 0.0593203	Sterimol/B1: 3.48972	Sterimol/B2: 4.66079	Sterimol/B3: 4.73314
Sterimol/B4: 6.90429	Sterimol/L: 16.3039

Surface and Volume Properties
Accessible surface: 621.624	Positive charged surface: 307.145	Negative charged surface: 314.479	Volume: 327.25
Hydrophobic surface: 452.006	Hydrophilic surface: 169.618

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.