MMsINC Database Search


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MMsINC code: MMs00632579

Type: Neutral
Formula: C₁₉H₂₂N₂

SMILES:

n1c2cc(C)c(cc2n(c1)Cc1ccc(cc1)C(C)C)C

InChI:

InChI=1/C19H22N2/c1-13(2)17-7-5-16(6-8-17)11-21-12-20-18-9-14(3)15(4)10-19(18)21/h5-10,12-13H,11H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.4036 kcal/mol

Physical Properties
Molecular Weight: 278.399 g/mol	logS: -5.91869	SlogP: 5.09124	Reactive groups: 0

Topological Properties
Globularity: 0.10969	Sterimol/B1: 2.88024	Sterimol/B2: 3.0356	Sterimol/B3: 4.75557
Sterimol/B4: 6.9131	Sterimol/L: 15.2558

Surface and Volume Properties
Accessible surface: 549.299	Positive charged surface: 360.892	Negative charged surface: 188.407	Volume: 304
Hydrophobic surface: 469.454	Hydrophilic surface: 79.845

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.