MMsINC Database Search


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MMsINC code: MMs01228477

Type: Neutral
Formula: C₁₅H₁₄ClNO₃

SMILES:

Clc1ccccc1C(=O)Nc1cc(OC)ccc1OC

InChI:

InChI=1/C15H14ClNO3/c1-19-10-7-8-14(20-2)13(9-10)17-15(18)11-5-3-4-6-12(11)16/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)=98.6694 kcal/mol

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

Topological Properties
Globularity: 0.0197407	Sterimol/B1: 2.37896	Sterimol/B2: 2.53158	Sterimol/B3: 3.37037
Sterimol/B4: 8.65905	Sterimol/L: 14.7972

Surface and Volume Properties
Accessible surface: 518.734	Positive charged surface: 327.417	Negative charged surface: 191.318	Volume: 265.75
Hydrophobic surface: 479.652	Hydrophilic surface: 39.082

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.