MMsINC Database Search


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MMsINC code: MMs00937712

Type: Neutral
Formula: C₁₉H₁₇ClN₂O₃

SMILES:

Clc1ccccc1NC(=O)COC1=CC(=O)N(c2c1cccc2)CC

InChI:

InChI=1/C19H17ClN2O3/c1-2-22-16-10-6-3-7-13(16)17(11-19(22)24)25-12-18(23)21-15-9-5-4-8-14(15)20/h3-11H,2,12H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.0243 kcal/mol

Physical Properties
Molecular Weight: 356.809 g/mol	logS: -5.25354	SlogP: 3.7027	Reactive groups: 0

Topological Properties
Globularity: 0.0191993	Sterimol/B1: 2.14755	Sterimol/B2: 3.32135	Sterimol/B3: 3.68629
Sterimol/B4: 7.32441	Sterimol/L: 18.1628

Surface and Volume Properties
Accessible surface: 610.764	Positive charged surface: 327.926	Negative charged surface: 282.838	Volume: 324.125
Hydrophobic surface: 510.539	Hydrophilic surface: 100.225

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.