MMsINC Database Search


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MMsINC code: MMs02066028

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O1c2c(cc(cc2)C)C2NC(=O)N(Cc3ccccc3)C1(C2)C

InChI:

InChI=1/C19H20N2O2/c1-13-8-9-17-15(10-13)16-11-19(2,23-17)21(18(22)20-16)12-14-6-4-3-5-7-14/h3-10,16H,11-12H2,1-2H3,(H,20,22)/t16-,19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.4809 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -4.44106	SlogP: 4.12212	Reactive groups: 0

Topological Properties
Globularity: 0.277509	Sterimol/B1: 4.15236	Sterimol/B2: 4.34293	Sterimol/B3: 4.41565
Sterimol/B4: 6.72476	Sterimol/L: 11.819

Surface and Volume Properties
Accessible surface: 513.941	Positive charged surface: 330.856	Negative charged surface: 183.085	Volume: 302.625
Hydrophobic surface: 431.823	Hydrophilic surface: 82.118

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

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.