MMsINC Database Search


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MMsINC code: MMs01640474

Type: Neutral
Formula: C₁₄H₁₃ClN₂O₂

SMILES:

Clc1cc(ncc1)C(=O)NCc1ccc(OC)cc1

InChI:

InChI=1/C14H13ClN2O2/c1-19-12-4-2-10(3-5-12)9-17-14(18)13-8-11(15)6-7-16-13/h2-8H,9H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.2204 kcal/mol

Physical Properties
Molecular Weight: 276.723 g/mol	logS: -2.97836	SlogP: 2.94	Reactive groups: 0

Topological Properties
Globularity: 0.0591445	Sterimol/B1: 3.0986	Sterimol/B2: 3.204	Sterimol/B3: 4.43462
Sterimol/B4: 5.35795	Sterimol/L: 17.538

Surface and Volume Properties
Accessible surface: 518.836	Positive charged surface: 312.54	Negative charged surface: 206.296	Volume: 254.75
Hydrophobic surface: 441.538	Hydrophilic surface: 77.298

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.