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MMsINC code: MMs02854918

Type: Neutral
Formula: C₂₀H₂₂N₂O

SMILES:

O(Cc1ccccc1)c1cc2c([nH]cc2C2N(CCC2)C)cc1

InChI:

InChI=1/C20H22N2O/c1-22-11-5-8-20(22)18-13-21-19-10-9-16(12-17(18)19)23-14-15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13,20-21H,5,8,11,14H2,1H3/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.1497 kcal/mol

Physical Properties
Molecular Weight: 306.409 g/mol	logS: -3.91689	SlogP: 4.8755	Reactive groups: 0

Topological Properties
Globularity: 0.0730217	Sterimol/B1: 2.24135	Sterimol/B2: 3.29207	Sterimol/B3: 5.61538
Sterimol/B4: 6.83837	Sterimol/L: 16.9496

Surface and Volume Properties
Accessible surface: 589.953	Positive charged surface: 399.173	Negative charged surface: 187.109	Volume: 319.75
Hydrophobic surface: 535.477	Hydrophilic surface: 54.476

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02854919
PUBCHEM-ZINC02019258