MMsINC Database Search


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MMsINC code: MMs00382339

Type: Neutral
Formula: C₂₆H₂₂ClN

SMILES:

Clc1cc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)c(cc1)C

InChI:

InChI=1/C26H22ClN/c1-20-17-18-24(27)19-25(20)28-26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-19,28H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=196.757 kcal/mol

Physical Properties
Molecular Weight: 383.922 g/mol	logS: -7.3798	SlogP: 7.36392	Reactive groups: 0

Topological Properties
Globularity: 0.542822	Sterimol/B1: 2.25752	Sterimol/B2: 3.00129	Sterimol/B3: 8.26291
Sterimol/B4: 9.24748	Sterimol/L: 13.9753

Surface and Volume Properties
Accessible surface: 608.633	Positive charged surface: 313.962	Negative charged surface: 294.671	Volume: 378.125
Hydrophobic surface: 607.364	Hydrophilic surface: 1.269

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.