MMsINC Database Search


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MMsINC code: MMs02323571

Type: Neutral
Formula: C₂₀H₂₀N₂O

SMILES:

O=C1N(N=C(c2c1cccc2)Cc1ccccc1)C1CCCC1

InChI:

InChI=1/C20H20N2O/c23-20-18-13-7-6-12-17(18)19(14-15-8-2-1-3-9-15)21-22(20)16-10-4-5-11-16/h1-3,6-9,12-13,16H,4-5,10-11,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.6881 kcal/mol

Physical Properties
Molecular Weight: 304.393 g/mol	logS: -4.87075	SlogP: 4.03177	Reactive groups: 0

Topological Properties
Globularity: 0.13185	Sterimol/B1: 2.12524	Sterimol/B2: 3.61666	Sterimol/B3: 3.62688
Sterimol/B4: 7.243	Sterimol/L: 14.0419

Surface and Volume Properties
Accessible surface: 517.451	Positive charged surface: 339.544	Negative charged surface: 177.907	Volume: 311.125
Hydrophobic surface: 479.592	Hydrophilic surface: 37.859

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.