MMsINC Database Search


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MMsINC code: MMs02879348

Type: Neutral
Formula: C₁₃H₁₈Cl₂N₂O

SMILES:

Clc1c(NC(=O)N(CCCC)CC)cccc1Cl

InChI:

InChI=1/C13H18Cl2N2O/c1-3-5-9-17(4-2)13(18)16-11-8-6-7-10(14)12(11)15/h6-8H,3-5,9H2,1-2H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.0821 kcal/mol

Physical Properties
Molecular Weight: 289.206 g/mol	logS: -4.16219	SlogP: 4.6473	Reactive groups: 0

Topological Properties
Globularity: 0.0992887	Sterimol/B1: 2.2948	Sterimol/B2: 3.54028	Sterimol/B3: 4.18449
Sterimol/B4: 7.49667	Sterimol/L: 15.483

Surface and Volume Properties
Accessible surface: 522.633	Positive charged surface: 290.19	Negative charged surface: 232.442	Volume: 269.5
Hydrophobic surface: 459.027	Hydrophilic surface: 63.606

Pharmacophoric Properties
Hydrogen bond donors: 1	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.