MMsINC Database Search


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MMsINC code: MMs02876427

Type: Neutral
Formula: C₂₄H₁₇N

SMILES:

[nH]1c(ccc1-c1cc2c(cc1)cccc2)-c1cc2c(cc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.7048 kcal/mol

Physical Properties
Molecular Weight: 319.407 g/mol	logS: -8.37422	SlogP: 6.6551	Reactive groups: 0

Topological Properties
Globularity: 2.98976e-07	Sterimol/B1: 2.09914	Sterimol/B2: 2.10155	Sterimol/B3: 3.92894
Sterimol/B4: 4.56875	Sterimol/L: 19.9963

Surface and Volume Properties
Accessible surface: 592.42	Positive charged surface: 278.596	Negative charged surface: 292.758	Volume: 331.75
Hydrophobic surface: 570.739	Hydrophilic surface: 21.681

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: 0

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Ions/Tautomers related molecules: no related molecules available.