MMsINC Database Search


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MMsINC code: MMs02859146

Type: Neutral
Formula: C₁₅H₁₅NO

SMILES:

O=C(Nc1ccc(cc1C)-c1ccccc1)C

InChI:

InChI=1/C15H15NO/c1-11-10-14(13-6-4-3-5-7-13)8-9-15(11)16-12(2)17/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)=74.3985 kcal/mol

Physical Properties
Molecular Weight: 225.291 g/mol	logS: -4.18118	SlogP: 3.62042	Reactive groups: 0

Topological Properties
Globularity: 0.0106396	Sterimol/B1: 2.18833	Sterimol/B2: 2.50009	Sterimol/B3: 2.50038
Sterimol/B4: 6.46469	Sterimol/L: 15.1766

Surface and Volume Properties
Accessible surface: 457.071	Positive charged surface: 247.856	Negative charged surface: 198.306	Volume: 233.5
Hydrophobic surface: 415.447	Hydrophilic surface: 41.624

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.