MMsINC Database Search


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MMsINC code: MMs02703001

Type: Neutral
Formula: C₁₇H₁₉NO

SMILES:

O(C)c1cc(N2Cc3cc(C)c(cc3C2)C)ccc1

InChI:

InChI=1/C17H19NO/c1-12-7-14-10-18(11-15(14)8-13(12)2)16-5-4-6-17(9-16)19-3/h4-9H,10-11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.271 kcal/mol

Physical Properties
Molecular Weight: 253.345 g/mol	logS: -4.20081	SlogP: 4.36504	Reactive groups: 0

Topological Properties
Globularity: 0.0228467	Sterimol/B1: 2.44297	Sterimol/B2: 2.75961	Sterimol/B3: 3.16464
Sterimol/B4: 6.13282	Sterimol/L: 15.5618

Surface and Volume Properties
Accessible surface: 501.329	Positive charged surface: 340.934	Negative charged surface: 160.395	Volume: 264.25
Hydrophobic surface: 477.363	Hydrophilic surface: 23.966

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.