MMsINC Database Search


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MMsINC code: MMs02573684

Type: Neutral
Formula: C₁₉H₂₀ClNO₄

SMILES:

Clc1ccc(OC(C(OCC(=O)Nc2cccc(C)c2C)=O)C)cc1

InChI:

InChI=1/C19H20ClNO4/c1-12-5-4-6-17(13(12)2)21-18(22)11-24-19(23)14(3)25-16-9-7-15(20)8-10-16/h4-10,14H,11H2,1-3H3,(H,21,22)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.897 kcal/mol

Physical Properties
Molecular Weight: 361.825 g/mol	logS: -5.53575	SlogP: 3.90604	Reactive groups: 0

Topological Properties
Globularity: 0.0222059	Sterimol/B1: 3.03602	Sterimol/B2: 3.71364	Sterimol/B3: 3.71733
Sterimol/B4: 5.05742	Sterimol/L: 21.3373

Surface and Volume Properties
Accessible surface: 643.64	Positive charged surface: 347.513	Negative charged surface: 296.127	Volume: 336.625
Hydrophobic surface: 544.283	Hydrophilic surface: 99.357

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.