MMsINC Database Search


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MMsINC code: MMs03465894

Type: Neutral
Formula: C₁₉H₁₇NO₂

SMILES:

O=C1N(C)C(=O)CC12c1c(CCc3c2cccc3)cccc1

InChI:

InChI=1/C19H17NO2/c1-20-17(21)12-19(18(20)22)15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)19/h2-9H,10-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.17 kcal/mol

Physical Properties
Molecular Weight: 291.35 g/mol	logS: -4.26738	SlogP: 2.45994	Reactive groups: 0

Topological Properties
Globularity: 0.149698	Sterimol/B1: 2.3196	Sterimol/B2: 2.7845	Sterimol/B3: 4.6491
Sterimol/B4: 9.22705	Sterimol/L: 12.7513

Surface and Volume Properties
Accessible surface: 483.653	Positive charged surface: 285.663	Negative charged surface: 197.99	Volume: 278.5
Hydrophobic surface: 421.566	Hydrophilic surface: 62.087

Pharmacophoric Properties
Hydrogen bond donors: 0	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.