MMsINC Database Search


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MMsINC code: MMs02684362

Type: Neutral
Formula: C₁₉H₂₃NO

SMILES:

O=C(N(Cc1ccccc1)C(C)C)CCc1ccccc1

InChI:

InChI=1/C19H23NO/c1-16(2)20(15-18-11-7-4-8-12-18)19(21)14-13-17-9-5-3-6-10-17/h3-12,16H,13-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.3088 kcal/mol

Physical Properties
Molecular Weight: 281.399 g/mol	logS: -3.79073	SlogP: 4.32277	Reactive groups: 0

Topological Properties
Globularity: 0.11485	Sterimol/B1: 2.39884	Sterimol/B2: 3.82401	Sterimol/B3: 5.34937
Sterimol/B4: 6.82352	Sterimol/L: 15.6637

Surface and Volume Properties
Accessible surface: 549.519	Positive charged surface: 340.921	Negative charged surface: 208.598	Volume: 306.5
Hydrophobic surface: 490.449	Hydrophilic surface: 59.07

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.