MMsINC Database Search


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MMsINC code: MMs02522316

Type: Neutral
Formula: C₁₅H₁₅NO₂

SMILES:

Oc1ccccc1C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C15H15NO2/c1-11(12-7-3-2-4-8-12)16-15(18)13-9-5-6-10-14(13)17/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)=59.3755 kcal/mol

Physical Properties
Molecular Weight: 241.29 g/mol	logS: -3.26417	SlogP: 2.9787	Reactive groups: 0

Topological Properties
Globularity: 0.0770731	Sterimol/B1: 2.12998	Sterimol/B2: 2.23875	Sterimol/B3: 4.87801
Sterimol/B4: 6.29439	Sterimol/L: 14.1429

Surface and Volume Properties
Accessible surface: 481.989	Positive charged surface: 273.152	Negative charged surface: 208.837	Volume: 240.75
Hydrophobic surface: 391.528	Hydrophilic surface: 90.461

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.