MMsINC Database Search


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MMsINC code: MMs00600494

Type: Neutral
Formula: C₁₄H₁₃ClFNO

SMILES:

Clc1cc(NCc2cc(OC)ccc2)ccc1F

InChI:

InChI=1/C14H13ClFNO/c1-18-12-4-2-3-10(7-12)9-17-11-5-6-14(16)13(15)8-11/h2-8,17H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.7167 kcal/mol

Physical Properties
Molecular Weight: 265.715 g/mol	logS: -4.02889	SlogP: 4.3662	Reactive groups: 0

Topological Properties
Globularity: 0.0782897	Sterimol/B1: 2.29461	Sterimol/B2: 3.76081	Sterimol/B3: 3.90688
Sterimol/B4: 5.11628	Sterimol/L: 15.5583

Surface and Volume Properties
Accessible surface: 494.167	Positive charged surface: 274.52	Negative charged surface: 219.648	Volume: 243.875
Hydrophobic surface: 464.703	Hydrophilic surface: 29.464

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.