MMsINC Database Search


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MMsINC code: MMs02674710

Type: Neutral
Formula: C₁₄H₁₀Cl₂FNO₂

SMILES:

Clc1cc(NC(OCc2ccc(F)cc2)=O)ccc1Cl

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.9723 kcal/mol

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

Topological Properties
Globularity: 0.0423812	Sterimol/B1: 2.59039	Sterimol/B2: 2.68745	Sterimol/B3: 3.95145
Sterimol/B4: 5.44333	Sterimol/L: 17.7019

Surface and Volume Properties
Accessible surface: 525.954	Positive charged surface: 227.429	Negative charged surface: 298.525	Volume: 258.75
Hydrophobic surface: 461.649	Hydrophilic surface: 64.305

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.