MMsINC Database Search


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MMsINC code: MMs01942163

Type: Neutral
Formula: C₁₅H₁₉ClN₂O₃

SMILES:

Clc1cc2cc([nH]c2cc1)C(=O)N(CCOC)CCOC

InChI:

InChI=1/C15H19ClN2O3/c1-20-7-5-18(6-8-21-2)15(19)14-10-11-9-12(16)3-4-13(11)17-14/h3-4,9-10,17H,5-8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.4807 kcal/mol

Physical Properties
Molecular Weight: 310.781 g/mol	logS: -2.88741	SlogP: 2.5563	Reactive groups: 0

Topological Properties
Globularity: 0.0950909	Sterimol/B1: 2.52251	Sterimol/B2: 2.59234	Sterimol/B3: 4.08437
Sterimol/B4: 7.76945	Sterimol/L: 15.6322

Surface and Volume Properties
Accessible surface: 543.344	Positive charged surface: 376.668	Negative charged surface: 161.519	Volume: 289.875
Hydrophobic surface: 512.375	Hydrophilic surface: 30.969

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.