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MMsINC code: MMs00814358

Type: Neutral
Formula: C₁₇H₁₆ClNO₄

SMILES:

Clc1cc(C(O)=O)c(NC(=O)COc2cc(C)c(cc2)C)cc1

InChI:

InChI=1/C17H16ClNO4/c1-10-3-5-13(7-11(10)2)23-9-16(20)19-15-6-4-12(18)8-14(15)17(21)22/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.6422 kcal/mol

Physical Properties
Molecular Weight: 333.771 g/mol	logS: -5.08322	SlogP: 3.67254	Reactive groups: 0

Topological Properties
Globularity: 0.0134121	Sterimol/B1: 2.41911	Sterimol/B2: 3.3148	Sterimol/B3: 3.90275
Sterimol/B4: 5.75763	Sterimol/L: 18.2959

Surface and Volume Properties
Accessible surface: 586.971	Positive charged surface: 310.212	Negative charged surface: 276.759	Volume: 298.25
Hydrophobic surface: 454.629	Hydrophilic surface: 132.342

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00814359
CHEMBRIDGE-ZINC04953610