MMsINC Database Search


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MMsINC code: MMs00124744

Type: Neutral
Formula: C₁₅H₁₅NO

SMILES:

O=C(Nc1ccc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C15H15NO/c1-11-3-7-13(8-4-11)15(17)16-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.8922 kcal/mol

Physical Properties
Molecular Weight: 225.291 g/mol	logS: -4.30271	SlogP: 3.55574	Reactive groups: 0

Topological Properties
Globularity: 0.0138387	Sterimol/B1: 2.48225	Sterimol/B2: 2.63196	Sterimol/B3: 3.55917
Sterimol/B4: 4.1109	Sterimol/L: 16.0915

Surface and Volume Properties
Accessible surface: 473.882	Positive charged surface: 271.95	Negative charged surface: 201.932	Volume: 236.625
Hydrophobic surface: 436.031	Hydrophilic surface: 37.851

Pharmacophoric Properties
Hydrogen bond donors: 1	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.