MMsINC Database Search


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MMsINC code: MMs02123727

Type: Neutral
Formula: C₁₇H₁₅NO₂

SMILES:

O(C)c1cc(ccc1)CN1c2c(C=CC1=O)cccc2

InChI:

InChI=1/C17H15NO2/c1-20-15-7-4-5-13(11-15)12-18-16-8-3-2-6-14(16)9-10-17(18)19/h2-11H,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.5371 kcal/mol

Physical Properties
Molecular Weight: 265.312 g/mol	logS: -3.92748	SlogP: 3.5216	Reactive groups: 0

Topological Properties
Globularity: 0.129379	Sterimol/B1: 2.61858	Sterimol/B2: 3.29588	Sterimol/B3: 4.61423
Sterimol/B4: 6.7655	Sterimol/L: 12.695

Surface and Volume Properties
Accessible surface: 482.502	Positive charged surface: 299.25	Negative charged surface: 183.253	Volume: 262.125
Hydrophobic surface: 432.417	Hydrophilic surface: 50.085

Pharmacophoric Properties
Hydrogen bond donors: 0	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.