MMsINC Database Search


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MMsINC code: MMs00645129

Type: Neutral
Formula: C₁₅H₁₄ClNO₂

SMILES:

Clc1cc(ccc1C)C(=O)Nc1cc(OC)ccc1

InChI:

InChI=1/C15H14ClNO2/c1-10-6-7-11(8-14(10)16)15(18)17-12-4-3-5-13(9-12)19-2/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)=75.2687 kcal/mol

Physical Properties
Molecular Weight: 275.735 g/mol	logS: -4.30001	SlogP: 3.90932	Reactive groups: 0

Topological Properties
Globularity: 0.0180357	Sterimol/B1: 2.8257	Sterimol/B2: 2.87705	Sterimol/B3: 3.77445
Sterimol/B4: 4.57755	Sterimol/L: 15.914

Surface and Volume Properties
Accessible surface: 509.937	Positive charged surface: 285.167	Negative charged surface: 224.77	Volume: 259
Hydrophobic surface: 461.961	Hydrophilic surface: 47.976

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.