MMsINC Database Search


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MMsINC code: MMs03192080

Type: Neutral
Formula: C₁₄H₁₄ClN₃O₃

SMILES:

Clc1ccc(nc1)NC(=O)Nc1cc(OC)c(OC)cc1

InChI:

InChI=1/C14H14ClN3O3/c1-20-11-5-4-10(7-12(11)21-2)17-14(19)18-13-6-3-9(15)8-16-13/h3-8H,1-2H3,(H2,16,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.7398 kcal/mol

Physical Properties
Molecular Weight: 307.737 g/mol	logS: -3.14022	SlogP: 3.3962	Reactive groups: 0

Topological Properties
Globularity: 0.0264953	Sterimol/B1: 1.98636	Sterimol/B2: 2.62855	Sterimol/B3: 3.22975
Sterimol/B4: 7.49546	Sterimol/L: 16.7129

Surface and Volume Properties
Accessible surface: 545.688	Positive charged surface: 365.248	Negative charged surface: 180.439	Volume: 271
Hydrophobic surface: 451.29	Hydrophilic surface: 94.398

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.