MMsINC Database Search


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MMsINC code: MMs02673517

Type: Neutral
Formula: C₁₄H₁₉ClN₂O

SMILES:

Clc1ccccc1NC(=O)N(C)C1CCCCC1

InChI:

InChI=1/C14H19ClN2O/c1-17(11-7-3-2-4-8-11)14(18)16-13-10-6-5-9-12(13)15/h5-6,9-11H,2-4,7-8H2,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.7827 kcal/mol

Physical Properties
Molecular Weight: 266.772 g/mol	logS: -3.52763	SlogP: 4.1364	Reactive groups: 0

Topological Properties
Globularity: 0.0787029	Sterimol/B1: 2.753	Sterimol/B2: 2.77064	Sterimol/B3: 4.49537
Sterimol/B4: 6.23651	Sterimol/L: 15.0553

Surface and Volume Properties
Accessible surface: 491.489	Positive charged surface: 314.124	Negative charged surface: 177.365	Volume: 258
Hydrophobic surface: 465.24	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.