MMsINC Database Search


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MMsINC code: MMs00861373

Type: Neutral
Formula: C₂₀H₂₀N₂

SMILES:

n1c2c(CCC2)c(Nc2ccc(cc2)C)c2cc(ccc12)C

InChI:

InChI=1/C20H20N2/c1-13-6-9-15(10-7-13)21-20-16-4-3-5-18(16)22-19-11-8-14(2)12-17(19)20/h6-12H,3-5H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.5298 kcal/mol

Physical Properties
Molecular Weight: 288.394 g/mol	logS: -5.11517	SlogP: 5.08388	Reactive groups: 0

Topological Properties
Globularity: 0.158896	Sterimol/B1: 2.60971	Sterimol/B2: 5.2418	Sterimol/B3: 5.99959
Sterimol/B4: 7.0458	Sterimol/L: 13.2398

Surface and Volume Properties
Accessible surface: 553.242	Positive charged surface: 361.436	Negative charged surface: 189.751	Volume: 301.625
Hydrophobic surface: 519.526	Hydrophilic surface: 33.716

Pharmacophoric Properties
Hydrogen bond donors: 1	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.