MMsINC Database Search


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MMsINC code: MMs00118296

Type: Neutral
Formula: C₁₅H₁₂N₂O₂

SMILES:

o1c2c(nc1-c1cc(NC(=O)C)ccc1)cccc2

InChI:

InChI=1/C15H12N2O2/c1-10(18)16-12-6-4-5-11(9-12)15-17-13-7-2-3-8-14(13)19-15/h2-9H,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.1725 kcal/mol

Physical Properties
Molecular Weight: 252.273 g/mol	logS: -4.91	SlogP: 3.4532	Reactive groups: 0

Topological Properties
Globularity: 0.00815653	Sterimol/B1: 2.14644	Sterimol/B2: 2.37948	Sterimol/B3: 2.62293
Sterimol/B4: 7.86551	Sterimol/L: 15.2857

Surface and Volume Properties
Accessible surface: 482.923	Positive charged surface: 279.342	Negative charged surface: 203.581	Volume: 240.625
Hydrophobic surface: 394.989	Hydrophilic surface: 87.934

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.