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MMsINC code: MMs02263385

Type: Neutral
Formula: C₁₅H₁₇NO₂

SMILES:

O(Cc1ccccc1)c1ccc(cc1)C(N)CO

InChI:

InChI=1/C15H17NO2/c16-15(10-17)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)=70.2008 kcal/mol

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

Topological Properties
Globularity: 0.0606109	Sterimol/B1: 3.09463	Sterimol/B2: 3.44872	Sterimol/B3: 3.81259
Sterimol/B4: 3.93161	Sterimol/L: 16.8487

Surface and Volume Properties
Accessible surface: 502.948	Positive charged surface: 314.832	Negative charged surface: 188.116	Volume: 248.5
Hydrophobic surface: 393.85	Hydrophilic surface: 109.098

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

MMs02263386
NCID-ZINC01613210