MMsINC Database Search


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MMsINC code: MMs00365107

Type: Neutral
Formula: C₂₈H₂₂N₂

SMILES:

n1c2c(cccc2NC(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1

InChI:

InChI=1/C28H22N2/c1-4-14-23(15-5-1)28(24-16-6-2-7-17-24,25-18-8-3-9-19-25)30-26-20-10-12-22-13-11-21-29-27(22)26/h1-21,30H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=206.17 kcal/mol

Physical Properties
Molecular Weight: 386.498 g/mol	logS: -7.07358	SlogP: 6.9503	Reactive groups: 0

Topological Properties
Globularity: 0.414983	Sterimol/B1: 2.55821	Sterimol/B2: 3.14388	Sterimol/B3: 7.98873
Sterimol/B4: 9.31751	Sterimol/L: 14.4179

Surface and Volume Properties
Accessible surface: 632.966	Positive charged surface: 376.922	Negative charged surface: 250.636	Volume: 391.25
Hydrophobic surface: 618.635	Hydrophilic surface: 14.331

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: 0

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Ions/Tautomers related molecules: no related molecules available.