MMsINC Database Search


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MMsINC code: MMs02310631

Type: Neutral
Formula: C₂₄H₁₇N

SMILES:

n1(c2c(c3c1cccc3)cccc2)-c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C24H17N/c1-2-8-18(9-3-1)19-14-16-20(17-15-19)25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.294 kcal/mol

Physical Properties
Molecular Weight: 319.407 g/mol	logS: -7.66571	SlogP: 6.4507	Reactive groups: 0

Topological Properties
Globularity: 0.0535496	Sterimol/B1: 3.27422	Sterimol/B2: 3.27763	Sterimol/B3: 5.91792
Sterimol/B4: 5.91805	Sterimol/L: 16.6552

Surface and Volume Properties
Accessible surface: 583.158	Positive charged surface: 278.377	Negative charged surface: 282.941	Volume: 328
Hydrophobic surface: 583.158	Hydrophilic surface: 0

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.