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MMsINC code: MMs00260764

Type: Neutral
Formula: C₁₄H₁₇ClN₂O₄

SMILES:

Clc1cc(NC(=O)C(=O)NCC2OCCC2)c(OC)cc1

InChI:

InChI=1/C14H17ClN2O4/c1-20-12-5-4-9(15)7-11(12)17-14(19)13(18)16-8-10-3-2-6-21-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,18)(H,17,19)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.279 kcal/mol

Physical Properties
Molecular Weight: 312.753 g/mol	logS: -3.23923	SlogP: 1.5823	Reactive groups: 0

Topological Properties
Globularity: 0.0181062	Sterimol/B1: 2.5727	Sterimol/B2: 3.08979	Sterimol/B3: 3.10689
Sterimol/B4: 8.46873	Sterimol/L: 16.7489

Surface and Volume Properties
Accessible surface: 566.653	Positive charged surface: 375.921	Negative charged surface: 190.732	Volume: 278.125
Hydrophobic surface: 458.444	Hydrophilic surface: 108.209

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