MMsINC Database Search


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MMsINC code: MMs00778734

Type: Neutral
Formula: C₁₄H₁₆Cl₂N₂O₂

SMILES:

Clc1cc(NC(=O)C2CC(=O)N(C2)C(C)C)cc(Cl)c1

InChI:

InChI=1/C14H16Cl2N2O2/c1-8(2)18-7-9(3-13(18)19)14(20)17-12-5-10(15)4-11(16)6-12/h4-6,8-9H,3,7H2,1-2H3,(H,17,20)/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.4421 kcal/mol

Physical Properties
Molecular Weight: 315.2 g/mol	logS: -3.56379	SlogP: 3.1888	Reactive groups: 0

Topological Properties
Globularity: 0.0545892	Sterimol/B1: 2.49428	Sterimol/B2: 4.02346	Sterimol/B3: 4.62658
Sterimol/B4: 5.19778	Sterimol/L: 16.1862

Surface and Volume Properties
Accessible surface: 539.497	Positive charged surface: 273.143	Negative charged surface: 266.354	Volume: 278.375
Hydrophobic surface: 437.224	Hydrophilic surface: 102.273

Pharmacophoric Properties
Hydrogen bond donors: 1	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.