MMsINC Database Search


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MMsINC code: MMs01490671

Type: Neutral
Formula: C₁₆H₁₄ClFN₂O₂

SMILES:

Clc1ccccc1C(=O)NCC(=O)Nc1ccc(F)cc1C

InChI:

InChI=1/C16H14ClFN2O2/c1-10-8-11(18)6-7-14(10)20-15(21)9-19-16(22)12-4-2-3-5-13(12)17/h2-8H,9H2,1H3,(H,19,22)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.2981 kcal/mol

Physical Properties
Molecular Weight: 320.751 g/mol	logS: -4.71718	SlogP: 3.15602	Reactive groups: 0

Topological Properties
Globularity: 0.0133377	Sterimol/B1: 2.2242	Sterimol/B2: 2.82064	Sterimol/B3: 3.32988
Sterimol/B4: 6.65974	Sterimol/L: 16.8385

Surface and Volume Properties
Accessible surface: 549.426	Positive charged surface: 277.583	Negative charged surface: 271.843	Volume: 283.75
Hydrophobic surface: 477.338	Hydrophilic surface: 72.088

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.