MMsINC Database Search


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MMsINC code: MMs02368403

Type: Neutral
Formula: C₁₉H₂₀N₂O

SMILES:

OC(Cc1nc2c(cc1)cccc2)c1ccc(N(C)C)cc1

InChI:

InChI=1/C19H20N2O/c1-21(2)17-11-8-15(9-12-17)19(22)13-16-10-7-14-5-3-4-6-18(14)20-16/h3-12,19,22H,13H2,1-2H3/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.5981 kcal/mol

Physical Properties
Molecular Weight: 292.382 g/mol	logS: -3.65414	SlogP: 3.67237	Reactive groups: 0

Topological Properties
Globularity: 0.0303677	Sterimol/B1: 2.45438	Sterimol/B2: 3.19409	Sterimol/B3: 3.77556
Sterimol/B4: 5.08986	Sterimol/L: 18.3297

Surface and Volume Properties
Accessible surface: 560.947	Positive charged surface: 374.818	Negative charged surface: 180.91	Volume: 303.375
Hydrophobic surface: 518.555	Hydrophilic surface: 42.392

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: no related molecules available.