MMsINC Database Search


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MMsINC code: MMs03728140

Type: Neutral
Formula: C₁₈H₁₅NO₂

SMILES:

Oc1c2c(cc(cc2)C(=O)N(C)c2ccccc2)ccc1

InChI:

InChI=1/C18H15NO2/c1-19(15-7-3-2-4-8-15)18(21)14-10-11-16-13(12-14)6-5-9-17(16)20/h2-12,20H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.905 kcal/mol

Physical Properties
Molecular Weight: 277.323 g/mol	logS: -4.76481	SlogP: 3.822	Reactive groups: 0

Topological Properties
Globularity: 0.020371	Sterimol/B1: 2.207	Sterimol/B2: 2.23174	Sterimol/B3: 3.19793
Sterimol/B4: 6.02554	Sterimol/L: 16.477

Surface and Volume Properties
Accessible surface: 493.436	Positive charged surface: 281.823	Negative charged surface: 201.831	Volume: 271.5
Hydrophobic surface: 423.294	Hydrophilic surface: 70.142

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.