MMsINC Database Search


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MMsINC code: MMs02365540

Type: Neutral
Formula: C₁₇H₁₅NO₂

SMILES:

O(Cc1ccccc1)c1cc2c(cc1OC)ccnc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.4262 kcal/mol

Physical Properties
Molecular Weight: 265.312 g/mol	logS: -3.87328	SlogP: 4.0888	Reactive groups: 0

Topological Properties
Globularity: 0.0583392	Sterimol/B1: 2.40872	Sterimol/B2: 3.61576	Sterimol/B3: 3.62109
Sterimol/B4: 8.54467	Sterimol/L: 16.0191

Surface and Volume Properties
Accessible surface: 523.511	Positive charged surface: 350.105	Negative charged surface: 161.184	Volume: 268.75
Hydrophobic surface: 491.644	Hydrophilic surface: 31.867

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.