MMsINC Database Search


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MMsINC code: MMs01746623

Type: Neutral
Formula: C₁₉H₁₉NO₂

SMILES:

O(C)c1cc2c(cc1OC)cc(nc2Cc1ccccc1)C

InChI:

InChI=1/C19H19NO2/c1-13-9-15-11-18(21-2)19(22-3)12-16(15)17(20-13)10-14-7-5-4-6-8-14/h4-9,11-12H,10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.996 kcal/mol

Physical Properties
Molecular Weight: 293.366 g/mol	logS: -4.37462	SlogP: 4.15119	Reactive groups: 0

Topological Properties
Globularity: 0.136972	Sterimol/B1: 1.9882	Sterimol/B2: 3.50339	Sterimol/B3: 4.1429
Sterimol/B4: 10.7324	Sterimol/L: 14.4081

Surface and Volume Properties
Accessible surface: 542.958	Positive charged surface: 375.509	Negative charged surface: 157.673	Volume: 297.5
Hydrophobic surface: 521.191	Hydrophilic surface: 21.767

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.