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MMsINC code: MMs02326552

Type: Neutral
Formula: C₁₆H₁₆N₂O₂

SMILES:

OC1(N(CCN)C(=O)c2c1cccc2)c1ccccc1

InChI:

InChI=1/C16H16N2O2/c17-10-11-18-15(19)13-8-4-5-9-14(13)16(18,20)12-6-2-1-3-7-12/h1-9,20H,10-11,17H2/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.7556 kcal/mol

Physical Properties
Molecular Weight: 268.316 g/mol	logS: -2.8601	SlogP: 1.606	Reactive groups: 0

Topological Properties
Globularity: 0.251856	Sterimol/B1: 2.51249	Sterimol/B2: 3.39193	Sterimol/B3: 4.59496
Sterimol/B4: 8.84842	Sterimol/L: 12.7357

Surface and Volume Properties
Accessible surface: 487.183	Positive charged surface: 293.283	Negative charged surface: 193.899	Volume: 261.75
Hydrophobic surface: 361.256	Hydrophilic surface: 125.927

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02326553
NCID-ZINC01695621