MMsINC Database Search


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MMsINC code: MMs02142580

Type: Neutral
Formula: C₁₉H₂₃NO

SMILES:

O=C(N(Cc1ccccc1)C(C)C)c1ccc(cc1)CC

InChI:

InChI=1/C19H23NO/c1-4-16-10-12-18(13-11-16)19(21)20(15(2)3)14-17-8-6-5-7-9-17/h5-13,15H,4,14H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=260.663 kcal/mol

Physical Properties
Molecular Weight: 281.399 g/mol	logS: -4.83648	SlogP: 4.56617	Reactive groups: 0

Topological Properties
Globularity: 0.103675	Sterimol/B1: 3.77527	Sterimol/B2: 3.95386	Sterimol/B3: 4.7538
Sterimol/B4: 4.95428	Sterimol/L: 15.6171

Surface and Volume Properties
Accessible surface: 528.168	Positive charged surface: 323.19	Negative charged surface: 204.978	Volume: 299.375
Hydrophobic surface: 437.209	Hydrophilic surface: 90.959

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.