MMsINC Database Search


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MMsINC code: MMs00627512

Type: Neutral
Formula: C₁₅H₁₅NO₂

SMILES:

O(Cc1ccccc1)C(=O)Nc1ccccc1C

InChI:

InChI=1/C15H15NO2/c1-12-7-5-6-10-14(12)16-15(17)18-11-13-8-3-2-4-9-13/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)=48.0778 kcal/mol

Physical Properties
Molecular Weight: 241.29 g/mol	logS: -3.59216	SlogP: 4.01012	Reactive groups: 0

Topological Properties
Globularity: 0.0469941	Sterimol/B1: 2.07435	Sterimol/B2: 3.29671	Sterimol/B3: 3.82309
Sterimol/B4: 6.69282	Sterimol/L: 16.112

Surface and Volume Properties
Accessible surface: 495.739	Positive charged surface: 291.381	Negative charged surface: 204.358	Volume: 244.5
Hydrophobic surface: 441.485	Hydrophilic surface: 54.254

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.