MMsINC Database Search


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MMsINC code: MMs03915171

Type: Neutral
Formula: C₁₄H₁₀Cl₂FNO₂

SMILES:

Clc1ccc(Cl)cc1NC(OCc1ccc(F)cc1)=O

InChI:

InChI=1/C14H10Cl2FNO2/c15-10-3-6-12(16)13(7-10)18-14(19)20-8-9-1-4-11(17)5-2-9/h1-7H,8H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.7566 kcal/mol

Physical Properties
Molecular Weight: 314.143 g/mol	logS: -5.19525	SlogP: 5.1476	Reactive groups: 0

Topological Properties
Globularity: 0.0443197	Sterimol/B1: 2.59883	Sterimol/B2: 3.8117	Sterimol/B3: 4.08316
Sterimol/B4: 5.96842	Sterimol/L: 16.5191

Surface and Volume Properties
Accessible surface: 525.648	Positive charged surface: 219.523	Negative charged surface: 306.124	Volume: 260.75
Hydrophobic surface: 469.19	Hydrophilic surface: 56.458

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.