MMsINC Database Search


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MMsINC code: MMs03216452

Type: Neutral
Formula: C₂₄H₁₅N

SMILES:

n1c2c(cc(cc2)C)c2c3c4c(c5c2cccc5)cccc4ccc13

InChI:

InChI=1/C24H15N/c1-14-9-11-20-19(13-14)23-18-7-3-2-6-16(18)17-8-4-5-15-10-12-21(25-20)24(23)22(15)17/h2-13H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.132 kcal/mol

Physical Properties
Molecular Weight: 317.391 g/mol	logS: -9.37916	SlogP: 6.59382	Reactive groups: 0

Topological Properties
Globularity: 0.0127279	Sterimol/B1: 2.20511	Sterimol/B2: 2.98949	Sterimol/B3: 6.06484
Sterimol/B4: 6.45663	Sterimol/L: 14.7452

Surface and Volume Properties
Accessible surface: 523.885	Positive charged surface: 262.323	Negative charged surface: 223.453	Volume: 312.625
Hydrophobic surface: 498.952	Hydrophilic surface: 24.933

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.