MMsINC Database Search


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MMsINC code: MMs02673096

Type: Neutral
Formula: C₁₄H₁₈Cl₂N₂O

SMILES:

Clc1ccc(Cl)cc1NC(=O)N(C)C1CCCCC1

InChI:

InChI=1/C14H18Cl2N2O/c1-18(11-5-3-2-4-6-11)14(19)17-13-9-10(15)7-8-12(13)16/h7-9,11H,2-6H2,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.9855 kcal/mol

Physical Properties
Molecular Weight: 301.217 g/mol	logS: -4.26192	SlogP: 4.7898	Reactive groups: 0

Topological Properties
Globularity: 0.0786506	Sterimol/B1: 2.72074	Sterimol/B2: 2.82411	Sterimol/B3: 4.51362
Sterimol/B4: 7.38609	Sterimol/L: 15.0592

Surface and Volume Properties
Accessible surface: 516.973	Positive charged surface: 291.98	Negative charged surface: 224.993	Volume: 275.125
Hydrophobic surface: 490.724	Hydrophilic surface: 26.249

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.