MMsINC Database Search


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MMsINC code: MMs02289123

Type: Neutral
Formula: C₁₄H₁₃NO₂

SMILES:

O(Cc1ccccc1)c1ccccc1C(=O)N

InChI:

InChI=1/C14H13NO2/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.0167 kcal/mol

Physical Properties
Molecular Weight: 227.263 g/mol	logS: -3.45528	SlogP: 2.6309	Reactive groups: 0

Topological Properties
Globularity: 0.0804289	Sterimol/B1: 3.61703	Sterimol/B2: 3.62034	Sterimol/B3: 4.62995
Sterimol/B4: 5.20647	Sterimol/L: 13.8844

Surface and Volume Properties
Accessible surface: 456.192	Positive charged surface: 264.737	Negative charged surface: 191.455	Volume: 225.125
Hydrophobic surface: 357.087	Hydrophilic surface: 99.105

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.