MMsINC Database Search


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MMsINC code: MMs02872140

Type: Neutral
Formula: C₂₆H₂₂ClNO₂

SMILES:

Clc1cc(ccc1OCc1ccccc1)CNc1ccc(Oc2ccccc2)cc1

InChI:

InChI=1/C26H22ClNO2/c27-25-17-21(11-16-26(25)29-19-20-7-3-1-4-8-20)18-28-22-12-14-24(15-13-22)30-23-9-5-2-6-10-23/h1-17,28H,18-19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.702 kcal/mol

Physical Properties
Molecular Weight: 415.92 g/mol	logS: -7.28452	SlogP: 7.8562	Reactive groups: 0

Topological Properties
Globularity: 0.0293629	Sterimol/B1: 3.85193	Sterimol/B2: 4.04758	Sterimol/B3: 5.04414
Sterimol/B4: 5.15575	Sterimol/L: 23.629

Surface and Volume Properties
Accessible surface: 749.016	Positive charged surface: 400.103	Negative charged surface: 348.912	Volume: 406.75
Hydrophobic surface: 726.16	Hydrophilic surface: 22.856

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.