MMsINC Database Search


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MMsINC code: MMs00626353

Type: Neutral
Formula: C₁₅H₁₅Cl₂NO

SMILES:

Clc1cc(ccc1OC)CNc1cc(Cl)ccc1C

InChI:

InChI=1/C15H15Cl2NO/c1-10-3-5-12(16)8-14(10)18-9-11-4-6-15(19-2)13(17)7-11/h3-8,18H,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.2633 kcal/mol

Physical Properties
Molecular Weight: 296.197 g/mol	logS: -4.62867	SlogP: 5.18892	Reactive groups: 0

Topological Properties
Globularity: 0.0759275	Sterimol/B1: 2.14393	Sterimol/B2: 3.59377	Sterimol/B3: 5.00787
Sterimol/B4: 7.44684	Sterimol/L: 16.1817

Surface and Volume Properties
Accessible surface: 536.08	Positive charged surface: 278.302	Negative charged surface: 257.778	Volume: 274.75
Hydrophobic surface: 521.792	Hydrophilic surface: 14.288

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.