MMsINC Database Search


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MMsINC code: MMs00548100

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

O(C(=O)c1[nH]c2c(c1-n1cccc1)c(ccc2)C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.8885 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -2.84444	SlogP: 3.05362	Reactive groups: 0

Topological Properties
Globularity: 0.0661904	Sterimol/B1: 3.31087	Sterimol/B2: 3.48233	Sterimol/B3: 4.58144
Sterimol/B4: 6.77485	Sterimol/L: 12.8234

Surface and Volume Properties
Accessible surface: 472.415	Positive charged surface: 298.858	Negative charged surface: 168.955	Volume: 245.625
Hydrophobic surface: 398.475	Hydrophilic surface: 73.94

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