MMsINC Database Search


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MMsINC code: MMs00519220

Type: Neutral
Formula: C₁₅H₁₂N₂O₃

SMILES:

o1c2c(cc1C(=O)Nc1ccc(OC)nc1)cccc2

InChI:

InChI=1/C15H12N2O3/c1-19-14-7-6-11(9-16-14)17-15(18)13-8-10-4-2-3-5-12(10)20-13/h2-9H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.4978 kcal/mol

Physical Properties
Molecular Weight: 268.272 g/mol	logS: -4.05662	SlogP: 3.0887	Reactive groups: 0

Topological Properties
Globularity: 0.0108316	Sterimol/B1: 2.52539	Sterimol/B2: 2.96169	Sterimol/B3: 3.51411
Sterimol/B4: 4.44552	Sterimol/L: 18.1635

Surface and Volume Properties
Accessible surface: 507.305	Positive charged surface: 336.301	Negative charged surface: 164.758	Volume: 252.125
Hydrophobic surface: 428.442	Hydrophilic surface: 78.863

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.