MMsINC Database Search


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MMsINC code: MMs02264516

Type: Neutral
Formula: C₁₅H₁₇NO₂

SMILES:

O(Cc1ccccc1)c1ccc(cc1)C(O)CN

InChI:

InChI=1/C15H17NO2/c16-10-15(17)13-6-8-14(9-7-13)18-11-12-4-2-1-3-5-12/h1-9,15,17H,10-11,16H2/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.2836 kcal/mol

Physical Properties
Molecular Weight: 243.306 g/mol	logS: -2.66554	SlogP: 2.6196	Reactive groups: 0

Topological Properties
Globularity: 0.0595043	Sterimol/B1: 3.32112	Sterimol/B2: 3.57575	Sterimol/B3: 3.85424
Sterimol/B4: 3.99418	Sterimol/L: 17.1323

Surface and Volume Properties
Accessible surface: 503.754	Positive charged surface: 312.436	Negative charged surface: 191.318	Volume: 249.375
Hydrophobic surface: 392.799	Hydrophilic surface: 110.955

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.