MMsINC Database Search


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MMsINC code: MMs01510375

Type: Neutral
Formula: C₁₅H₁₄ClNO₂

SMILES:

Clc1cc(ccc1)CNC(=O)c1cc(OC)ccc1

InChI:

InChI=1/C15H14ClNO2/c1-19-14-7-3-5-12(9-14)15(18)17-10-11-4-2-6-13(16)8-11/h2-9H,10H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.1585 kcal/mol

Physical Properties
Molecular Weight: 275.735 g/mol	logS: -4.08358	SlogP: 3.545	Reactive groups: 0

Topological Properties
Globularity: 0.0543544	Sterimol/B1: 3.74354	Sterimol/B2: 4.25516	Sterimol/B3: 4.25794
Sterimol/B4: 4.60408	Sterimol/L: 16.6032

Surface and Volume Properties
Accessible surface: 519.332	Positive charged surface: 286.178	Negative charged surface: 233.154	Volume: 260.25
Hydrophobic surface: 463.451	Hydrophilic surface: 55.881

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.