MMsINC Database Search


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MMsINC code: MMs02775933

Type: Neutral
Formula: C₂₀H₁₈N₂

SMILES:

n1c2cc(C)c(cc2n(c1)Cc1cc2c(cc1)cccc2)C

InChI:

InChI=1/C20H18N2/c1-14-9-19-20(10-15(14)2)22(13-21-19)12-16-7-8-17-5-3-4-6-18(17)11-16/h3-11,13H,12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.2752 kcal/mol

Physical Properties
Molecular Weight: 286.378 g/mol	logS: -6.29221	SlogP: 5.12104	Reactive groups: 0

Topological Properties
Globularity: 0.10188	Sterimol/B1: 2.33749	Sterimol/B2: 4.14032	Sterimol/B3: 4.9395
Sterimol/B4: 6.70133	Sterimol/L: 14.4887

Surface and Volume Properties
Accessible surface: 536.751	Positive charged surface: 312.013	Negative charged surface: 213.652	Volume: 297.375
Hydrophobic surface: 496.795	Hydrophilic surface: 39.956

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: 1

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Ions/Tautomers related molecules: no related molecules available.