MMsINC Database Search


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MMsINC code: MMs02819175

Type: Neutral
Formula: C₂₄H₁₇N

SMILES:

n1c2c(ccc3c2cccc3)c(cc1-c1c2c(ccc1)cccc2)C

InChI:

InChI=1/C24H17N/c1-16-15-23(22-12-6-9-17-7-2-4-10-20(17)22)25-24-19(16)14-13-18-8-3-5-11-21(18)24/h2-15H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.429 kcal/mol

Physical Properties
Molecular Weight: 319.407 g/mol	logS: -8.59828	SlogP: 6.51662	Reactive groups: 0

Topological Properties
Globularity: 0.0780652	Sterimol/B1: 2.06471	Sterimol/B2: 2.86371	Sterimol/B3: 4.32302
Sterimol/B4: 9.56392	Sterimol/L: 14.6242

Surface and Volume Properties
Accessible surface: 564.936	Positive charged surface: 287.353	Negative charged surface: 246.684	Volume: 326.875
Hydrophobic surface: 553.777	Hydrophilic surface: 11.159

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.