MMsINC Database Search


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MMsINC code: MMs02255724

Type: Neutral
Formula: C₁₅H₁₇NO₂

SMILES:

O(C)c1ccc(cc1)C(N)c1ccc(OC)cc1

InChI:

InChI=1/C15H17NO2/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10,15H,16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.129 kcal/mol

Physical Properties
Molecular Weight: 243.306 g/mol	logS: -2.91846	SlogP: 2.8474	Reactive groups: 0

Topological Properties
Globularity: 0.140066	Sterimol/B1: 2.28504	Sterimol/B2: 3.36891	Sterimol/B3: 4.52257
Sterimol/B4: 6.33219	Sterimol/L: 14.7636

Surface and Volume Properties
Accessible surface: 482.224	Positive charged surface: 340.563	Negative charged surface: 141.66	Volume: 247.625
Hydrophobic surface: 413.707	Hydrophilic surface: 68.517

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.