MMsINC Database Search


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MMsINC code: MMs00060128

Type: Neutral
Formula: C₁₄H₁₂N₂O₃

SMILES:

O1c2cc(ccc2OC1)C(=O)NCc1ncccc1

InChI:

InChI=1/C14H12N2O3/c17-14(16-8-11-3-1-2-6-15-11)10-4-5-12-13(7-10)19-9-18-12/h1-7H,8-9H2,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.5972 kcal/mol

Physical Properties
Molecular Weight: 256.261 g/mol	logS: -2.14879	SlogP: 2.0067	Reactive groups: 0

Topological Properties
Globularity: 0.0454293	Sterimol/B1: 2.40714	Sterimol/B2: 3.65721	Sterimol/B3: 4.75334
Sterimol/B4: 4.7723	Sterimol/L: 16.2228

Surface and Volume Properties
Accessible surface: 490.489	Positive charged surface: 315.894	Negative charged surface: 174.595	Volume: 236.625
Hydrophobic surface: 370.714	Hydrophilic surface: 119.775

Pharmacophoric Properties
Hydrogen bond donors: 1	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.