MMsINC Database Search


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MMsINC code: MMs02348189

Type: Neutral
Formula: C₁₄H₁₁NO₃

SMILES:

O(C(=O)c1ccc(N)cc1)C1=CC=CC=CC1=O

InChI:

InChI=1/C14H11NO3/c15-11-8-6-10(7-9-11)14(17)18-13-5-3-1-2-4-12(13)16/h1-9H,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.1102 kcal/mol

Physical Properties
Molecular Weight: 241.246 g/mol	logS: -3.45916	SlogP: 2.0046	Reactive groups: 1

Topological Properties
Globularity: 0.0502379	Sterimol/B1: 2.75938	Sterimol/B2: 3.27969	Sterimol/B3: 3.39995
Sterimol/B4: 4.22937	Sterimol/L: 15.2361

Surface and Volume Properties
Accessible surface: 459.836	Positive charged surface: 251.057	Negative charged surface: 208.779	Volume: 225.125
Hydrophobic surface: 339.474	Hydrophilic surface: 120.362

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.