MMsINC Database Search


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MMsINC code: MMs00265665

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O(C)c1cc2[nH]cc(c2cc1)CCNC(=O)c1ccccc1C

InChI:

InChI=1/C19H20N2O2/c1-13-5-3-4-6-16(13)19(22)20-10-9-14-12-21-18-11-15(23-2)7-8-17(14)18/h3-8,11-12,21H,9-10H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.1072 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -4.17458	SlogP: 3.45739	Reactive groups: 0

Topological Properties
Globularity: 0.0765487	Sterimol/B1: 2.05214	Sterimol/B2: 3.67399	Sterimol/B3: 6.2211
Sterimol/B4: 6.64658	Sterimol/L: 18.1363

Surface and Volume Properties
Accessible surface: 581.812	Positive charged surface: 382.352	Negative charged surface: 195.132	Volume: 311.875
Hydrophobic surface: 493.008	Hydrophilic surface: 88.804

Pharmacophoric Properties
Hydrogen bond donors: 2	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.