MMsINC Database Search


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MMsINC code: MMs02806612

Type: Neutral
Formula: C₂₀H₂₄N₂

SMILES:

n1c2cc(C)c(cc2n(c1)Cc1c(C)c(cc(C)c1C)C)C

InChI:

InChI=1/C20H24N2/c1-12-8-19-20(9-13(12)2)22(11-21-19)10-18-16(5)14(3)7-15(4)17(18)6/h7-9,11H,10H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.4619 kcal/mol

Physical Properties
Molecular Weight: 292.426 g/mol	logS: -6.31001	SlogP: 5.20152	Reactive groups: 0

Topological Properties
Globularity: 0.102231	Sterimol/B1: 2.18908	Sterimol/B2: 4.0617	Sterimol/B3: 4.21397
Sterimol/B4: 7.42295	Sterimol/L: 15.0484

Surface and Volume Properties
Accessible surface: 552.994	Positive charged surface: 346.101	Negative charged surface: 206.893	Volume: 319.5
Hydrophobic surface: 520.027	Hydrophilic surface: 32.967

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.