MMsINC Database Search


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MMsINC code: MMs00650025

Type: Neutral
Formula: C₁₉H₂₁ClN₂O₄

SMILES:

Clc1cc(OC)c(NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1OC

InChI:

InChI=1/C19H21ClN2O4/c1-11(2)18(23)21-13-7-5-12(6-8-13)19(24)22-15-10-16(25-3)14(20)9-17(15)26-4/h5-11H,1-4H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.984 kcal/mol

Physical Properties
Molecular Weight: 376.84 g/mol	logS: -4.80291	SlogP: 4.204	Reactive groups: 0

Topological Properties
Globularity: 0.0124658	Sterimol/B1: 2.53652	Sterimol/B2: 3.40674	Sterimol/B3: 4.85884
Sterimol/B4: 7.00486	Sterimol/L: 19.6998

Surface and Volume Properties
Accessible surface: 644.965	Positive charged surface: 421.544	Negative charged surface: 223.42	Volume: 348
Hydrophobic surface: 531.737	Hydrophilic surface: 113.228

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.