MMsINC Database Search


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MMsINC code: MMs00073711

Type: Neutral
Formula: C₁₄H₉ClFNO₂

SMILES:

Clc1cc2N(Cc3ccccc3F)C(Oc2cc1)=O

InChI:

InChI=1/C14H9ClFNO2/c15-10-5-6-13-12(7-10)17(14(18)19-13)8-9-3-1-2-4-11(9)16/h1-7H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.7051 kcal/mol

Physical Properties
Molecular Weight: 277.682 g/mol	logS: -4.85354	SlogP: 4.2645	Reactive groups: 0

Topological Properties
Globularity: 0.130779	Sterimol/B1: 2.79908	Sterimol/B2: 3.39152	Sterimol/B3: 4.01477
Sterimol/B4: 6.79791	Sterimol/L: 12.3132

Surface and Volume Properties
Accessible surface: 446.609	Positive charged surface: 202.774	Negative charged surface: 243.835	Volume: 236.125
Hydrophobic surface: 381.237	Hydrophilic surface: 65.372

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.