MMsINC Database Search


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MMsINC code: MMs02423599

Type: Neutral
Formula: C₂₈H₂₁N

SMILES:

n1c2c(cc(cc2)C(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1

InChI:

InChI=1/C28H21N/c1-4-12-23(13-5-1)28(24-14-6-2-7-15-24,25-16-8-3-9-17-25)26-18-19-27-22(21-26)11-10-20-29-27/h1-21H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=188.498 kcal/mol

Physical Properties
Molecular Weight: 371.483 g/mol	logS: -7.37472	SlogP: 6.6175	Reactive groups: 0

Topological Properties
Globularity: 0.513403	Sterimol/B1: 2.34106	Sterimol/B2: 5.4901	Sterimol/B3: 6.29184
Sterimol/B4: 8.577	Sterimol/L: 13.5703

Surface and Volume Properties
Accessible surface: 621.083	Positive charged surface: 360.697	Negative charged surface: 256.264	Volume: 381
Hydrophobic surface: 600.045	Hydrophilic surface: 21.038

Pharmacophoric Properties
Hydrogen bond donors: 0	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.