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MMsINC code: MMs00635741

Type: Neutral
Formula: C₁₅H₁₅Cl₂NO₂

SMILES:

Clc1cc(NCc2cc(OC)c(OC)cc2)ccc1Cl

InChI:

InChI=1/C15H15Cl2NO2/c1-19-14-6-3-10(7-15(14)20-2)9-18-11-4-5-12(16)13(17)8-11/h3-8,18H,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.5625 kcal/mol

Physical Properties
Molecular Weight: 312.196 g/mol	logS: -4.51858	SlogP: 4.8891	Reactive groups: 0

Topological Properties
Globularity: 0.0800047	Sterimol/B1: 2.26376	Sterimol/B2: 3.58914	Sterimol/B3: 4.84343
Sterimol/B4: 7.25895	Sterimol/L: 17.3731

Surface and Volume Properties
Accessible surface: 554.917	Positive charged surface: 324.617	Negative charged surface: 230.299	Volume: 282.75
Hydrophobic surface: 518.572	Hydrophilic surface: 36.345

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.