MMsINC Database Search


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MMsINC code: MMs00343740

Type: Neutral
Formula: C₁₅H₁₄N₂O₃

SMILES:

o1c2c(nc1-c1cc(N)c(OC)cc1)cc(OC)cc2

InChI:

InChI=1/C15H14N2O3/c1-18-10-4-6-14-12(8-10)17-15(20-14)9-3-5-13(19-2)11(16)7-9/h3-8H,16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.274 kcal/mol

Physical Properties
Molecular Weight: 270.288 g/mol	logS: -4.52219	SlogP: 3.0942	Reactive groups: 0

Topological Properties
Globularity: 0.00462147	Sterimol/B1: 2.37386	Sterimol/B2: 2.37653	Sterimol/B3: 3.37198
Sterimol/B4: 5.11939	Sterimol/L: 18.0037

Surface and Volume Properties
Accessible surface: 510.113	Positive charged surface: 372.116	Negative charged surface: 137.997	Volume: 255.375
Hydrophobic surface: 397.048	Hydrophilic surface: 113.065

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.