MMsINC Database Search


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MMsINC code: MMs00745985

Type: Neutral
Formula: C₁₉H₁₈ClNO₃

SMILES:

Clc1cc(OCCOCCOc2c3ncccc3ccc2)ccc1

InChI:

InChI=1/C19H18ClNO3/c20-16-6-2-7-17(14-16)23-12-10-22-11-13-24-18-8-1-4-15-5-3-9-21-19(15)18/h1-9,14H,10-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.442 kcal/mol

Physical Properties
Molecular Weight: 343.81 g/mol	logS: -4.74545	SlogP: 4.3626	Reactive groups: 0

Topological Properties
Globularity: 0.126031	Sterimol/B1: 2.6472	Sterimol/B2: 4.32013	Sterimol/B3: 6.02635
Sterimol/B4: 6.07473	Sterimol/L: 16.2176

Surface and Volume Properties
Accessible surface: 640.108	Positive charged surface: 392.013	Negative charged surface: 242.56	Volume: 321.5
Hydrophobic surface: 608.852	Hydrophilic surface: 31.256

Pharmacophoric Properties
Hydrogen bond donors: 0	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.