MMsINC Database Search


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MMsINC code: MMs00632595

Type: Neutral
Formula: C₁₇H₁₈N₂

SMILES:

n1c2cc(C)c(cc2n(c1)CCc1ccccc1)C

InChI:

InChI=1/C17H18N2/c1-13-10-16-17(11-14(13)2)19(12-18-16)9-8-15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.0513 kcal/mol

Physical Properties
Molecular Weight: 250.345 g/mol	logS: -4.4758	SlogP: 4.16221	Reactive groups: 0

Topological Properties
Globularity: 0.0241629	Sterimol/B1: 2.54733	Sterimol/B2: 3.10154	Sterimol/B3: 4.13482
Sterimol/B4: 5.50169	Sterimol/L: 15.6811

Surface and Volume Properties
Accessible surface: 507.707	Positive charged surface: 311.526	Negative charged surface: 196.181	Volume: 267.125
Hydrophobic surface: 478.033	Hydrophilic surface: 29.674

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.