MMsINC Database Search


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MMsINC code: MMs03341865

Type: Neutral
Formula: C₁₄H₁₈Cl₂N₂O

SMILES:

Clc1cc(ccc1Cl)CNC(=O)NC1CCCCC1

InChI:

InChI=1/C14H18Cl2N2O/c15-12-7-6-10(8-13(12)16)9-17-14(19)18-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-0.392647 kcal/mol

Physical Properties
Molecular Weight: 301.217 g/mol	logS: -4.31195	SlogP: 4.3917	Reactive groups: 1

Topological Properties
Globularity: 0.0547595	Sterimol/B1: 2.6773	Sterimol/B2: 2.93568	Sterimol/B3: 4.33236
Sterimol/B4: 5.45822	Sterimol/L: 17.4718

Surface and Volume Properties
Accessible surface: 539.339	Positive charged surface: 311.847	Negative charged surface: 227.492	Volume: 277
Hydrophobic surface: 472.976	Hydrophilic surface: 66.363

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.