MMsINC Database Search


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MMsINC code: MMs02118540

Type: Neutral
Formula: C₂₀H₂₀N₂O

SMILES:

OC(CNCc1ncccc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H20N2O/c23-20(17-9-3-1-4-10-17,18-11-5-2-6-12-18)16-21-15-19-13-7-8-14-22-19/h1-14,21,23H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.24 kcal/mol

Physical Properties
Molecular Weight: 304.393 g/mol	logS: -3.35342	SlogP: 3.6852	Reactive groups: 0

Topological Properties
Globularity: 0.130859	Sterimol/B1: 2.43028	Sterimol/B2: 3.43064	Sterimol/B3: 4.14578
Sterimol/B4: 7.9536	Sterimol/L: 16.1667

Surface and Volume Properties
Accessible surface: 574.928	Positive charged surface: 354.835	Negative charged surface: 220.092	Volume: 313.5
Hydrophobic surface: 526.146	Hydrophilic surface: 48.782

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.