MMsINC Database Search


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MMsINC code: MMs01176042

Type: Neutral
Formula: C₁₉H₂₀N₂O

SMILES:

O=C(N(Cc1ccccc1)CC)c1n(c2c(c1)cccc2)C

InChI:

InChI=1/C19H20N2O/c1-3-21(14-15-9-5-4-6-10-15)19(22)18-13-16-11-7-8-12-17(16)20(18)2/h4-13H,3,14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.7271 kcal/mol

Physical Properties
Molecular Weight: 292.382 g/mol	logS: -3.85696	SlogP: 4.4662	Reactive groups: 0

Topological Properties
Globularity: 0.0964932	Sterimol/B1: 2.24901	Sterimol/B2: 2.99829	Sterimol/B3: 4.57003
Sterimol/B4: 7.70821	Sterimol/L: 15.0138

Surface and Volume Properties
Accessible surface: 539.852	Positive charged surface: 334.603	Negative charged surface: 199.658	Volume: 303.125
Hydrophobic surface: 489.962	Hydrophilic surface: 49.89

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.