MMsINC Database Search


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MMsINC code: MMs00129035

Type: Neutral
Formula: C₁₉H₁₈N₂O

SMILES:

O=C(Nc1cc(cc(c1)C)C)c1cc(nc2c1cccc2)C

InChI:

InChI=1/C19H18N2O/c1-12-8-13(2)10-15(9-12)21-19(22)17-11-14(3)20-18-7-5-4-6-16(17)18/h4-11H,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.3674 kcal/mol

Physical Properties
Molecular Weight: 290.366 g/mol	logS: -5.20464	SlogP: 4.41236	Reactive groups: 0

Topological Properties
Globularity: 0.0478139	Sterimol/B1: 2.30151	Sterimol/B2: 3.74013	Sterimol/B3: 4.63495
Sterimol/B4: 7.12917	Sterimol/L: 15.321

Surface and Volume Properties
Accessible surface: 550.087	Positive charged surface: 331.053	Negative charged surface: 214.424	Volume: 295.625
Hydrophobic surface: 505.074	Hydrophilic surface: 45.013

Pharmacophoric Properties
Hydrogen bond donors: 1	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.