MMsINC Database Search


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MMsINC code: MMs02713438

Type: Neutral
Formula: C₁₄H₁₁ClFNO₂

SMILES:

Clc1cc(NC(OCc2ccccc2)=O)ccc1F

InChI:

InChI=1/C14H11ClFNO2/c15-12-8-11(6-7-13(12)16)17-14(18)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.9544 kcal/mol

Physical Properties
Molecular Weight: 279.698 g/mol	logS: -4.46096	SlogP: 4.4942	Reactive groups: 0

Topological Properties
Globularity: 0.0428446	Sterimol/B1: 2.94111	Sterimol/B2: 3.59365	Sterimol/B3: 3.9901
Sterimol/B4: 4.13351	Sterimol/L: 16.5101

Surface and Volume Properties
Accessible surface: 506.956	Positive charged surface: 242.212	Negative charged surface: 264.744	Volume: 243.375
Hydrophobic surface: 441.896	Hydrophilic surface: 65.06

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.