MMsINC Database Search


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MMsINC code: MMs00753567

Type: Neutral
Formula: C₁₈H₁₉ClN₂O₃

SMILES:

Clc1ccc(cc1)CCNC(=O)C(=O)NCc1ccc(OC)cc1

InChI:

InChI=1/C18H19ClN2O3/c1-24-16-8-4-14(5-9-16)12-21-18(23)17(22)20-11-10-13-2-6-15(19)7-3-13/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.1892 kcal/mol

Physical Properties
Molecular Weight: 346.814 g/mol	logS: -4.31762	SlogP: 2.59007	Reactive groups: 0

Topological Properties
Globularity: 0.0412148	Sterimol/B1: 2.39079	Sterimol/B2: 3.64007	Sterimol/B3: 3.79547
Sterimol/B4: 6.06325	Sterimol/L: 21.7872

Surface and Volume Properties
Accessible surface: 645.782	Positive charged surface: 380.913	Negative charged surface: 264.869	Volume: 326.875
Hydrophobic surface: 527.644	Hydrophilic surface: 118.138

Pharmacophoric Properties
Hydrogen bond donors: 2	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.