MMsINC Database Search


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MMsINC code: MMs01511311

Type: Neutral
Formula: C₁₇H₁₆ClFN₂O₂

SMILES:

Clc1cc(NC(=O)CC(NC(=O)C)c2ccccc2)ccc1F

InChI:

InChI=1/C17H16ClFN2O2/c1-11(22)20-16(12-5-3-2-4-6-12)10-17(23)21-13-7-8-15(19)14(18)9-13/h2-9,16H,10H2,1H3,(H,20,22)(H,21,23)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.3888 kcal/mol

Physical Properties
Molecular Weight: 334.778 g/mol	logS: -4.44599	SlogP: 3.7806	Reactive groups: 0

Topological Properties
Globularity: 0.105377	Sterimol/B1: 2.25075	Sterimol/B2: 3.34083	Sterimol/B3: 5.18519
Sterimol/B4: 7.59001	Sterimol/L: 16.5548

Surface and Volume Properties
Accessible surface: 579.723	Positive charged surface: 295.795	Negative charged surface: 283.928	Volume: 302.125
Hydrophobic surface: 504.89	Hydrophilic surface: 74.833

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.