MMsINC Database Search


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MMsINC code: MMs02359504

Type: Neutral
Formula: C₁₇H₁₇ClN₂O₄

SMILES:

Clc1cc(OC)c(NC(=O)Nc2cc(ccc2)C(=O)C)cc1OC

InChI:

InChI=1/C17H17ClN2O4/c1-10(21)11-5-4-6-12(7-11)19-17(22)20-14-9-15(23-2)13(18)8-16(14)24-3/h4-9H,1-3H3,(H2,19,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.876 kcal/mol

Physical Properties
Molecular Weight: 348.786 g/mol	logS: -4.39937	SlogP: 4.2038	Reactive groups: 0

Topological Properties
Globularity: 0.0784885	Sterimol/B1: 2.42157	Sterimol/B2: 4.83639	Sterimol/B3: 5.06764
Sterimol/B4: 6.13938	Sterimol/L: 15.6449

Surface and Volume Properties
Accessible surface: 603.801	Positive charged surface: 385.409	Negative charged surface: 218.392	Volume: 313.5
Hydrophobic surface: 498.862	Hydrophilic surface: 104.939

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.