MMsINC Database Search


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MMsINC code: MMs02816838

Type: Neutral
Formula: C₁₉H₁₅NO₂

SMILES:

O(C)c1cc2c(cc1OC)ccc1c3c(cccc3)cnc12

InChI:

InChI=1/C19H15NO2/c1-21-17-9-12-7-8-15-14-6-4-3-5-13(14)11-20-19(15)16(12)10-18(17)22-2/h3-11H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.426 kcal/mol

Physical Properties
Molecular Weight: 289.334 g/mol	logS: -5.82994	SlogP: 4.5584	Reactive groups: 0

Topological Properties
Globularity: 0.00629525	Sterimol/B1: 2.37338	Sterimol/B2: 2.38529	Sterimol/B3: 2.76595
Sterimol/B4: 7.49267	Sterimol/L: 16.0468

Surface and Volume Properties
Accessible surface: 523.228	Positive charged surface: 347.816	Negative charged surface: 146.124	Volume: 282.375
Hydrophobic surface: 492.401	Hydrophilic surface: 30.827

Pharmacophoric Properties
Hydrogen bond donors: 0	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.