MMsINC Database Search


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MMsINC code: MMs01229911

Type: Neutral
Formula: C₁₆H₁₈N₂O

SMILES:

O=C(Nc1ccccc1)NCc1ccc(cc1C)C

InChI:

InChI=1/C16H18N2O/c1-12-8-9-14(13(2)10-12)11-17-16(19)18-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.9491 kcal/mol

Physical Properties
Molecular Weight: 254.333 g/mol	logS: -4.14393	SlogP: 3.89154	Reactive groups: 0

Topological Properties
Globularity: 0.0553449	Sterimol/B1: 2.64927	Sterimol/B2: 2.91397	Sterimol/B3: 4.11162
Sterimol/B4: 5.21115	Sterimol/L: 17.209

Surface and Volume Properties
Accessible surface: 524.419	Positive charged surface: 318.854	Negative charged surface: 205.565	Volume: 265
Hydrophobic surface: 459.586	Hydrophilic surface: 64.833

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.