MMsINC Database Search


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MMsINC code: MMs00897154

Type: Neutral
Formula: C₂₀H₂₀N₂

SMILES:

n1c2c(nc3c1cccc3)-c1c(CC2(C)C)cc(cc1C)C

InChI:

InChI=1/C20H20N2/c1-12-9-13(2)17-14(10-12)11-20(3,4)19-18(17)21-15-7-5-6-8-16(15)22-19/h5-10H,11H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.968 kcal/mol

Physical Properties
Molecular Weight: 288.394 g/mol	logS: -4.80246	SlogP: 4.74731	Reactive groups: 0

Topological Properties
Globularity: 0.0607367	Sterimol/B1: 3.0707	Sterimol/B2: 3.85802	Sterimol/B3: 4.11831
Sterimol/B4: 6.77627	Sterimol/L: 15.1071

Surface and Volume Properties
Accessible surface: 526.517	Positive charged surface: 333.262	Negative charged surface: 190.601	Volume: 298.125
Hydrophobic surface: 468.372	Hydrophilic surface: 58.145

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.