MMsINC Database Search


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MMsINC code: MMs02746452

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

O(C)c1c(cccc1OC)-c1[nH]c2c(n1)cccc2

InChI:

InChI=1/C15H14N2O2/c1-18-13-9-5-6-10(14(13)19-2)15-16-11-7-3-4-8-12(11)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)=77.5694 kcal/mol

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

Topological Properties
Globularity: 0.0185276	Sterimol/B1: 2.27554	Sterimol/B2: 3.20821	Sterimol/B3: 4.0827
Sterimol/B4: 5.51855	Sterimol/L: 15.1092

Surface and Volume Properties
Accessible surface: 479.761	Positive charged surface: 332.336	Negative charged surface: 147.425	Volume: 246.75
Hydrophobic surface: 442.045	Hydrophilic surface: 37.716

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.