MMsINC Database Search


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MMsINC code: MMs02708476

Type: Neutral
Formula: C₁₅H₁₄ClNO₂

SMILES:

Clc1ccc(cc1)CNc1cc2OCCOc2cc1

InChI:

InChI=1/C15H14ClNO2/c16-12-3-1-11(2-4-12)10-17-13-5-6-14-15(9-13)19-8-7-18-14/h1-6,9,17H,7-8,10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.2312 kcal/mol

Physical Properties
Molecular Weight: 275.735 g/mol	logS: -3.93313	SlogP: 3.9897	Reactive groups: 0

Topological Properties
Globularity: 0.055827	Sterimol/B1: 2.50912	Sterimol/B2: 3.87821	Sterimol/B3: 3.9683
Sterimol/B4: 4.81397	Sterimol/L: 17.3921

Surface and Volume Properties
Accessible surface: 509.805	Positive charged surface: 304.664	Negative charged surface: 205.141	Volume: 255.25
Hydrophobic surface: 470.631	Hydrophilic surface: 39.174

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.