MMsINC Database Search


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MMsINC code: MMs02668585

Type: Neutral
Formula: C₁₅H₁₅NO₂

SMILES:

OC(C)c1cc(NC(=O)c2ccccc2)ccc1

InChI:

InChI=1/C15H15NO2/c1-11(17)13-8-5-9-14(10-13)16-15(18)12-6-3-2-4-7-12/h2-11,17H,1H3,(H,16,18)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.9059 kcal/mol

Physical Properties
Molecular Weight: 241.29 g/mol	logS: -3.4531	SlogP: 3.0877	Reactive groups: 0

Topological Properties
Globularity: 0.0256067	Sterimol/B1: 2.1995	Sterimol/B2: 2.62879	Sterimol/B3: 3.63203
Sterimol/B4: 6.1252	Sterimol/L: 15.2656

Surface and Volume Properties
Accessible surface: 476.321	Positive charged surface: 272.126	Negative charged surface: 204.195	Volume: 242.625
Hydrophobic surface: 374.206	Hydrophilic surface: 102.115

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.