MMsINC Database Search


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MMsINC code: MMs02231620

Type: Neutral
Formula: C₁₅H₁₅NO₂

SMILES:

O(Cc1ccccc1-c1ccccc1)C(=O)NC

InChI:

InChI=1/C15H15NO2/c1-16-15(17)18-11-13-9-5-6-10-14(13)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.6897 kcal/mol

Physical Properties
Molecular Weight: 241.29 g/mol	logS: -4.03421	SlogP: 3.476	Reactive groups: 0

Topological Properties
Globularity: 0.0527551	Sterimol/B1: 2.79403	Sterimol/B2: 3.36159	Sterimol/B3: 4.391
Sterimol/B4: 7.11815	Sterimol/L: 13.7944

Surface and Volume Properties
Accessible surface: 487.56	Positive charged surface: 308.306	Negative charged surface: 175.343	Volume: 244.75
Hydrophobic surface: 417.98	Hydrophilic surface: 69.58

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.