MMsINC Database Search


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MMsINC code: MMs01600023

Type: Neutral
Formula: C₁₈H₁₉ClN₂O₄

SMILES:

Clc1ccc(cc1N)C(OCC(=O)N(Cc1ccccc1OC)C)=O

InChI:

InChI=1/C18H19ClN2O4/c1-21(10-13-5-3-4-6-16(13)24-2)17(22)11-25-18(23)12-7-8-14(19)15(20)9-12/h3-9H,10-11,20H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.342 kcal/mol

Physical Properties
Molecular Weight: 362.813 g/mol	logS: -4.10664	SlogP: 3.0126	Reactive groups: 0

Topological Properties
Globularity: 0.0518801	Sterimol/B1: 2.27726	Sterimol/B2: 3.61	Sterimol/B3: 3.79755
Sterimol/B4: 8.03595	Sterimol/L: 17.6999

Surface and Volume Properties
Accessible surface: 611.257	Positive charged surface: 391.485	Negative charged surface: 219.772	Volume: 332.875
Hydrophobic surface: 494.068	Hydrophilic surface: 117.189

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.