MMsINC Database Search


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MMsINC code: MMs02020830

Type: Neutral
Formula: C₁₉H₂₀N₂O

SMILES:

O=C(NCc1cc2cc([nH]c2cc1)C)Cc1cc(ccc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.436 kcal/mol

Physical Properties
Molecular Weight: 292.382 g/mol	logS: -4.43759	SlogP: 3.91001	Reactive groups: 0

Topological Properties
Globularity: 0.0267948	Sterimol/B1: 2.18078	Sterimol/B2: 3.07251	Sterimol/B3: 3.52672
Sterimol/B4: 6.65727	Sterimol/L: 18.9514

Surface and Volume Properties
Accessible surface: 594.088	Positive charged surface: 370.861	Negative charged surface: 217.69	Volume: 303.625
Hydrophobic surface: 516.272	Hydrophilic surface: 77.816

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.