MMsINC Database Search


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MMsINC code: MMs03323582

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

O(C)c1cc(cc(OC)c1)-c1[nH]c2c(n1)cccc2

InChI:

InChI=1/C15H14N2O2/c1-18-11-7-10(8-12(9-11)19-2)15-16-13-5-3-4-6-14(13)17-15/h3-9H,1-2H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.6607 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -4.591	SlogP: 3.2471	Reactive groups: 0

Topological Properties
Globularity: 0.00627485	Sterimol/B1: 2.37437	Sterimol/B2: 2.37586	Sterimol/B3: 2.49065
Sterimol/B4: 7.09166	Sterimol/L: 14.583

Surface and Volume Properties
Accessible surface: 491.993	Positive charged surface: 337.956	Negative charged surface: 154.037	Volume: 247.25
Hydrophobic surface: 437.057	Hydrophilic surface: 54.936

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.