MMsINC Database Search


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MMsINC code: MMs02673725

Type: Neutral
Formula: C₁₄H₁₁Cl₂NO₂

SMILES:

Clc1cccc(Cl)c1NC(OCc1ccccc1)=O

InChI:

InChI=1/C14H11Cl2NO2/c15-11-7-4-8-12(16)13(11)17-14(18)19-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.326 kcal/mol

Physical Properties
Molecular Weight: 296.153 g/mol	logS: -4.90027	SlogP: 5.0085	Reactive groups: 0

Topological Properties
Globularity: 0.0309036	Sterimol/B1: 2.53183	Sterimol/B2: 3.61384	Sterimol/B3: 4.642
Sterimol/B4: 4.85514	Sterimol/L: 16.2525

Surface and Volume Properties
Accessible surface: 519.812	Positive charged surface: 230.097	Negative charged surface: 289.715	Volume: 259.375
Hydrophobic surface: 464.862	Hydrophilic surface: 54.95

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.