MMsINC Database Search


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MMsINC code: MMs02020778

Type: Neutral
Formula: C₁₉H₂₀N₂O

SMILES:

O=C(NCc1cc2cc([nH]c2cc1)C)c1cc(C)c(cc1)C

InChI:

InChI=1/C19H20N2O/c1-12-4-6-16(8-13(12)2)19(22)20-11-15-5-7-18-17(10-15)9-14(3)21-18/h4-10,21H,11H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.514 kcal/mol

Physical Properties
Molecular Weight: 292.382 g/mol	logS: -4.85004	SlogP: 4.28956	Reactive groups: 0

Topological Properties
Globularity: 0.0507405	Sterimol/B1: 2.16997	Sterimol/B2: 3.86271	Sterimol/B3: 4.17937
Sterimol/B4: 6.66504	Sterimol/L: 18.1294

Surface and Volume Properties
Accessible surface: 580.724	Positive charged surface: 343.61	Negative charged surface: 231.746	Volume: 303.625
Hydrophobic surface: 506.035	Hydrophilic surface: 74.689

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.