MMsINC Database Search


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MMsINC code: MMs00616029

Type: Neutral
Formula: C₁₄H₁₄N₂O₂

SMILES:

O(C)c1cc(ccc1)C(=O)NCc1ncccc1

InChI:

InChI=1/C14H14N2O2/c1-18-13-7-4-5-11(9-13)14(17)16-10-12-6-2-3-8-15-12/h2-9H,10H2,1H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.9484 kcal/mol

Physical Properties
Molecular Weight: 242.278 g/mol	logS: -2.24407	SlogP: 2.2866	Reactive groups: 0

Topological Properties
Globularity: 0.0412452	Sterimol/B1: 3.45667	Sterimol/B2: 3.72907	Sterimol/B3: 4.22319
Sterimol/B4: 4.26903	Sterimol/L: 16.5514

Surface and Volume Properties
Accessible surface: 488.244	Positive charged surface: 323.313	Negative charged surface: 164.931	Volume: 240
Hydrophobic surface: 418.359	Hydrophilic surface: 69.885

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.