MMsINC Database Search


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MMsINC code: MMs01679757

Type: Neutral
Formula: C₁₇H₁₈N₂O₂

SMILES:

O=C(C)c1ccccc1NC(=O)c1cc(N(C)C)ccc1

InChI:

InChI=1/C17H18N2O2/c1-12(20)15-9-4-5-10-16(15)18-17(21)13-7-6-8-14(11-13)19(2)3/h4-11H,1-3H3,(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.7711 kcal/mol

Physical Properties
Molecular Weight: 282.343 g/mol	logS: -3.59455	SlogP: 3.2075	Reactive groups: 0

Topological Properties
Globularity: 0.0353655	Sterimol/B1: 2.4075	Sterimol/B2: 2.51899	Sterimol/B3: 3.89454
Sterimol/B4: 7.41049	Sterimol/L: 15.6539

Surface and Volume Properties
Accessible surface: 532.981	Positive charged surface: 355.172	Negative charged surface: 177.809	Volume: 281.875
Hydrophobic surface: 472.803	Hydrophilic surface: 60.178

Pharmacophoric Properties
Hydrogen bond donors: 1	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.