MMsINC Database Search


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MMsINC code: MMs02215828

Type: Neutral
Formula: C₁₄H₁₂ClFN₂O

SMILES:

Clc1ccc(cc1NC(=O)Nc1cc(F)ccc1)C

InChI:

InChI=1/C14H12ClFN2O/c1-9-5-6-12(15)13(7-9)18-14(19)17-11-4-2-3-10(16)8-11/h2-8H,1H3,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.9797 kcal/mol

Physical Properties
Molecular Weight: 278.714 g/mol	logS: -4.75524	SlogP: 4.43152	Reactive groups: 0

Topological Properties
Globularity: 0.0464717	Sterimol/B1: 2.06297	Sterimol/B2: 2.52853	Sterimol/B3: 3.92111
Sterimol/B4: 7.78453	Sterimol/L: 14.3644

Surface and Volume Properties
Accessible surface: 494.428	Positive charged surface: 247.754	Negative charged surface: 246.674	Volume: 248.125
Hydrophobic surface: 442.285	Hydrophilic surface: 52.143

Pharmacophoric Properties
Hydrogen bond donors: 2	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.