MMsINC Database Search


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MMsINC code: MMs00855505

Type: Neutral
Formula: C₁₈H₂₀N₂

SMILES:

n1c2cc(C)c(cc2n(c1)Cc1cc(ccc1C)C)C

InChI:

InChI=1/C18H20N2/c1-12-5-6-13(2)16(7-12)10-20-11-19-17-8-14(3)15(4)9-18(17)20/h5-9,11H,10H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.7979 kcal/mol

Physical Properties
Molecular Weight: 264.372 g/mol	logS: -5.36217	SlogP: 4.58468	Reactive groups: 0

Topological Properties
Globularity: 0.101209	Sterimol/B1: 1.97795	Sterimol/B2: 3.05629	Sterimol/B3: 4.09282
Sterimol/B4: 8.50044	Sterimol/L: 13.379

Surface and Volume Properties
Accessible surface: 505.863	Positive charged surface: 311.779	Negative charged surface: 194.084	Volume: 284.5
Hydrophobic surface: 466.376	Hydrophilic surface: 39.487

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.