MMsINC Database Search


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MMsINC code: MMs00798914

Type: Neutral
Formula: C₁₅H₁₄ClNO₃

SMILES:

Clc1cc(ccc1OC)C(=O)Nc1ccccc1OC

InChI:

InChI=1/C15H14ClNO3/c1-19-13-8-7-10(9-11(13)16)15(18)17-12-5-3-4-6-14(12)20-2/h3-9H,1-2H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.9385 kcal/mol

Physical Properties
Molecular Weight: 291.734 g/mol	logS: -4.18992	SlogP: 3.6095	Reactive groups: 0

Topological Properties
Globularity: 0.0149705	Sterimol/B1: 2.36766	Sterimol/B2: 2.55227	Sterimol/B3: 3.47337
Sterimol/B4: 7.40561	Sterimol/L: 16.1904

Surface and Volume Properties
Accessible surface: 516.698	Positive charged surface: 317.403	Negative charged surface: 199.295	Volume: 266.125
Hydrophobic surface: 471.373	Hydrophilic surface: 45.325

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.