MMsINC Database Search


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MMsINC code: MMs02639764

Type: Neutral
Formula: C₁₅H₁₅NO₂

SMILES:

OC(C(=O)NCc1ccccc1)c1ccccc1

InChI:

InChI=1/C15H15NO2/c17-14(13-9-5-2-6-10-13)15(18)16-11-12-7-3-1-4-8-12/h1-10,14,17H,11H2,(H,16,18)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.3361 kcal/mol

Physical Properties
Molecular Weight: 241.29 g/mol	logS: -3.09637	SlogP: 2.3983	Reactive groups: 0

Topological Properties
Globularity: 0.121096	Sterimol/B1: 3.4568	Sterimol/B2: 3.50187	Sterimol/B3: 3.5165
Sterimol/B4: 5.80998	Sterimol/L: 12.886

Surface and Volume Properties
Accessible surface: 485.565	Positive charged surface: 270.575	Negative charged surface: 214.989	Volume: 246
Hydrophobic surface: 403.69	Hydrophilic surface: 81.875

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.